 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/Gau-23125.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23126.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 18:49:00 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 18:49:00 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 18:49:00 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 18:49:02 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.69D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 18:49:02 2021, MaxMem=  6442450944 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 18:49:03 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 18:49:04 2021, MaxMem=  6442450944 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.795626507727    
 DIIS: error= 2.64D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.795626507727     IErMin= 1 ErrMin= 2.64D-03
 ErrMax= 2.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-02 BMatP= 1.56D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.64D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.355 Goal=   None    Shift=    0.000
 GapD=    0.355 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.84D-02 MaxDP=7.39D+00              OVMax= 1.61D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.88D-02    CP:  1.84D+00
 E= -654.809608682641     Delta-E=       -0.013982174914 Rises=F Damp=F
 DIIS: error= 1.46D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.809608682641     IErMin= 2 ErrMin= 1.46D-03
 ErrMax= 1.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-03 BMatP= 1.56D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.46D-02
 Coeff-Com:  0.152D+00 0.848D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.150D+00 0.850D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=8.52D-03 MaxDP=1.09D+00 DE=-1.40D-02 OVMax= 1.34D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.38D-03    CP:  1.97D+00  1.14D+00
 E= -654.809763849376     Delta-E=       -0.000155166735 Rises=F Damp=F
 DIIS: error= 1.44D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.809763849376     IErMin= 3 ErrMin= 1.44D-03
 ErrMax= 1.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-03 BMatP= 2.33D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.44D-02
 Coeff-Com: -0.264D-01 0.505D+00 0.521D+00
 Coeff-En:   0.000D+00 0.478D+00 0.522D+00
 Coeff:     -0.260D-01 0.505D+00 0.521D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.38D-03 MaxDP=2.91D-01 DE=-1.55D-04 OVMax= 7.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.42D-04    CP:  2.00D+00  1.18D+00  1.14D+00
 E= -654.811351158463     Delta-E=       -0.001587309087 Rises=F Damp=F
 DIIS: error= 1.93D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.811351158463     IErMin= 4 ErrMin= 1.93D-04
 ErrMax= 1.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-05 BMatP= 2.30D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.93D-03
 Coeff-Com: -0.151D-01 0.181D+00 0.226D+00 0.608D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.151D-01 0.181D+00 0.225D+00 0.609D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.86D-04 MaxDP=4.82D-02 DE=-1.59D-03 OVMax= 2.55D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.27D-05    CP:  2.01D+00  1.19D+00  1.19D+00  1.04D+00
 E= -654.811381330173     Delta-E=       -0.000030171710 Rises=F Damp=F
 DIIS: error= 1.06D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.811381330173     IErMin= 5 ErrMin= 1.06D-04
 ErrMax= 1.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 4.86D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03
 Coeff-Com: -0.172D-02-0.254D-01-0.170D-04 0.357D+00 0.670D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.170D+00 0.830D+00
 Coeff:     -0.172D-02-0.254D-01-0.170D-04 0.357D+00 0.670D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.24D-04 MaxDP=2.79D-02 DE=-3.02D-05 OVMax= 7.47D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.04D-05    CP:  2.01D+00  1.19D+00  1.23D+00  1.11D+00  1.34D+00
 E= -654.811391401218     Delta-E=       -0.000010071045 Rises=F Damp=F
 DIIS: error= 1.27D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.811391401218     IErMin= 6 ErrMin= 1.27D-05
 ErrMax= 1.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.26D-07 BMatP= 1.33D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.367D-03-0.238D-01-0.160D-01 0.107D+00 0.274D+00 0.659D+00
 Coeff:      0.367D-03-0.238D-01-0.160D-01 0.107D+00 0.274D+00 0.659D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.37D-05 MaxDP=2.44D-03 DE=-1.01D-05 OVMax= 1.65D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.14D-05    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.35D+00
                    CP:  1.22D+00
 E= -654.811391898992     Delta-E=       -0.000000497774 Rises=F Damp=F
 DIIS: error= 3.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.811391898992     IErMin= 7 ErrMin= 3.86D-06
 ErrMax= 3.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-08 BMatP= 5.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-03-0.532D-02-0.513D-02-0.728D-05 0.221D-01 0.222D+00
 Coeff-Com:  0.766D+00
 Coeff:      0.328D-03-0.532D-02-0.513D-02-0.728D-05 0.221D-01 0.222D+00
 Coeff:      0.766D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.15D-05 MaxDP=1.13D-03 DE=-4.98D-07 OVMax= 7.19D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.53D-06    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.40D+00
                    CP:  1.29D+00  1.11D+00
 E= -654.811391943052     Delta-E=       -0.000000044060 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -654.811391943052     IErMin= 8 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-09 BMatP= 3.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-03-0.341D-03-0.849D-03-0.806D-02-0.126D-01 0.369D-01
 Coeff-Com:  0.310D+00 0.675D+00
 Coeff:      0.106D-03-0.341D-03-0.849D-03-0.806D-02-0.126D-01 0.369D-01
 Coeff:      0.310D+00 0.675D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.51D-06 MaxDP=6.03D-04 DE=-4.41D-08 OVMax= 3.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.57D-06    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.41D+00
                    CP:  1.31D+00  1.14D+00  1.09D+00
 E= -654.811391948679     Delta-E=       -0.000000005626 Rises=F Damp=F
 DIIS: error= 5.81D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -654.811391948679     IErMin= 9 ErrMin= 5.81D-07
 ErrMax= 5.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.16D-10 BMatP= 4.81D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-04 0.779D-03 0.526D-03-0.374D-02-0.102D-01-0.231D-01
 Coeff-Com:  0.863D-02 0.306D+00 0.721D+00
 Coeff:     -0.119D-04 0.779D-03 0.526D-03-0.374D-02-0.102D-01-0.231D-01
 Coeff:      0.863D-02 0.306D+00 0.721D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=2.00D-04 DE=-5.63D-09 OVMax= 1.35D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.77D-07    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.41D+00
                    CP:  1.32D+00  1.18D+00  1.17D+00  9.60D-01
 E= -654.811391949669     Delta-E=       -0.000000000990 Rises=F Damp=F
 DIIS: error= 1.72D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -654.811391949669     IErMin=10 ErrMin= 1.72D-07
 ErrMax= 1.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-11 BMatP= 8.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-04 0.265D-03 0.234D-03-0.452D-03-0.211D-02-0.971D-02
 Coeff-Com: -0.220D-01 0.324D-01 0.213D+00 0.789D+00
 Coeff:     -0.127D-04 0.265D-03 0.234D-03-0.452D-03-0.211D-02-0.971D-02
 Coeff:     -0.220D-01 0.324D-01 0.213D+00 0.789D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=9.84D-06 DE=-9.90D-10 OVMax= 4.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.64D-07    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.41D+00
                    CP:  1.32D+00  1.18D+00  1.18D+00  1.01D+00  1.09D+00
 E= -654.811391949763     Delta-E=       -0.000000000094 Rises=F Damp=F
 DIIS: error= 6.49D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -654.811391949763     IErMin=11 ErrMin= 6.49D-08
 ErrMax= 6.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-12 BMatP= 4.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.246D-05-0.289D-04 0.983D-06 0.451D-03 0.900D-03 0.265D-03
 Coeff-Com: -0.927D-02-0.391D-01-0.373D-01 0.296D+00 0.788D+00
 Coeff:     -0.246D-05-0.289D-04 0.983D-06 0.451D-03 0.900D-03 0.265D-03
 Coeff:     -0.927D-02-0.391D-01-0.373D-01 0.296D+00 0.788D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.27D-07 MaxDP=1.19D-05 DE=-9.41D-11 OVMax= 2.05D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.08D-08    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.41D+00
                    CP:  1.32D+00  1.18D+00  1.19D+00  1.03D+00  1.13D+00
                    CP:  1.02D+00
 E= -654.811391949740     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -654.811391949763     IErMin=12 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-13 BMatP= 7.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.372D-06-0.329D-04-0.209D-04 0.175D-03 0.469D-03 0.920D-03
 Coeff-Com: -0.771D-03-0.145D-01-0.293D-01 0.176D-01 0.229D+00 0.796D+00
 Coeff:      0.372D-06-0.329D-04-0.209D-04 0.175D-03 0.469D-03 0.920D-03
 Coeff:     -0.771D-03-0.145D-01-0.293D-01 0.176D-01 0.229D+00 0.796D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.36D-08 MaxDP=5.76D-06 DE= 2.34D-11 OVMax= 5.59D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.06D-08    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.41D+00
                    CP:  1.32D+00  1.18D+00  1.18D+00  1.02D+00  1.14D+00
                    CP:  1.06D+00  9.69D-01
 E= -654.811391949805     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 9.40D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -654.811391949805     IErMin=13 ErrMin= 9.40D-09
 ErrMax= 9.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-13 BMatP= 5.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.430D-06-0.101D-04-0.863D-05 0.191D-04 0.881D-04 0.321D-03
 Coeff-Com:  0.733D-03-0.125D-02-0.709D-02-0.274D-01-0.301D-02 0.310D+00
 Coeff-Com:  0.727D+00
 Coeff:      0.430D-06-0.101D-04-0.863D-05 0.191D-04 0.881D-04 0.321D-03
 Coeff:      0.733D-03-0.125D-02-0.709D-02-0.274D-01-0.301D-02 0.310D+00
 Coeff:      0.727D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.27D-08 MaxDP=9.07D-07 DE=-6.50D-11 OVMax= 2.16D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.36D-09    CP:  2.01D+00  1.19D+00  1.24D+00  1.13D+00  1.41D+00
                    CP:  1.32D+00  1.18D+00  1.18D+00  1.02D+00  1.14D+00
                    CP:  1.05D+00  1.04D+00  9.40D-01
 E= -654.811391949723     Delta-E=        0.000000000081 Rises=F Damp=F
 DIIS: error= 3.10D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -654.811391949805     IErMin=14 ErrMin= 3.10D-09
 ErrMax= 3.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-14 BMatP= 1.04D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.981D-07 0.141D-05 0.788D-07-0.186D-04-0.386D-04-0.281D-04
 Coeff-Com:  0.355D-03 0.171D-02 0.202D-02-0.116D-01-0.359D-01-0.156D-01
 Coeff-Com:  0.248D+00 0.812D+00
 Coeff:      0.981D-07 0.141D-05 0.788D-07-0.186D-04-0.386D-04-0.281D-04
 Coeff:      0.355D-03 0.171D-02 0.202D-02-0.116D-01-0.359D-01-0.156D-01
 Coeff:      0.248D+00 0.812D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.35D-09 MaxDP=4.32D-07 DE= 8.14D-11 OVMax= 1.25D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.811391950     A.U. after   14 cycles
            NFock= 14  Conv=0.44D-08     -V/T= 2.0048
 KE= 6.517135512185D+02 PE=-3.467030042647D+03 EE= 1.189921361189D+03
 Leave Link  502 at Mon Sep 27 18:59:54 2021, MaxMem=  6442450944 cpu:            5184.2 elap:             650.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.79848576D+02

 Leave Link  801 at Mon Sep 27 18:59:54 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10262 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.88D-01 7.62D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 6.03D-02 7.58D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 7.64D-03 1.99D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 9.63D-04 4.54D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.44D-04 1.44D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 9.73D-06 4.66D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 5.09D-07 9.77D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 2.28D-08 1.97D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 9.14D-10 3.82D-06.
     11 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 2.94D-11 8.31D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.14D-12 1.55D-07.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 5.90D-14 2.18D-08.
      1 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 3.05D-14 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.229019D+03
      2  0.963054D+01  0.147159D+03
      3  0.338514D+01 -0.945034D+01  0.149483D+03
 Isotropic polarizability for W=    0.088559      175.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.281913D+03 -0.311386D+02 -0.609218D+02
      2   0.135882D+03  0.350170D+02  0.375746D+02
      3   0.146030D+03 -0.387838D+01  0.233472D+02
      4   0.116497D+02 -0.886613D+02  0.892247D+01
      5  -0.113871D+02  0.103338D+02 -0.881514D+02
      6   0.144884D+02  0.367310D+02  0.197979D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.438428D+01  0.353238D+01 -0.533301D+01
      2  -0.370218D+02 -0.200810D+01 -0.488474D+02
      3  -0.691102D+01  0.455072D+02 -0.473418D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.141132D+01 -0.843578D+00 -0.236763D+02
      2  -0.495346D+02 -0.556592D+01 -0.234182D+03
      3   0.427884D+02  0.224544D+03  0.415460D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.301831D+01  0.207507D+01  0.545002D+01
      2   0.207507D+01 -0.156643D+01 -0.369721D+00
      3   0.545002D+01 -0.369721D+00  0.222674D+01
 OR G Eigenvalues:    -7.1354    -0.9645     5.7419  Iso=     0.7860
 Eigenvectors:
   (1)   0.808945  -0.333565  -0.484089
   (2)   0.222975   0.936005  -0.272354
   (3)   0.543958   0.112380   0.831553
 w=    0.088559 a.u., Optical Rotation Beta=      0.7860 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      193.21 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.71D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.33D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.29D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.19D-02 2.36D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.80D-03 6.00D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.72D-05 1.10D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.68D-06 1.56D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 3.44D-08 1.99D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 5.07D-10 2.50D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 6.95D-12 2.64D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 8.99D-14 2.51D-08.
     11 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 1.41D-14 7.25D-09.
      1 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 5.48D-15 5.49D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   282 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.96D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.96D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.30D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.229019D+03  0.963054D+01  0.338514D+01
      2   0.963054D+01  0.147159D+03 -0.945034D+01
      3   0.338514D+01 -0.945034D+01  0.149483D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.438428D+01  0.353238D+01 -0.533301D+01
      2  -0.370218D+02 -0.200810D+01 -0.488474D+02
      3  -0.691102D+01  0.455072D+02 -0.473418D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.281913D+03 -0.311386D+02 -0.609218D+02
      2   0.135882D+03  0.350170D+02  0.375746D+02
      3   0.146030D+03 -0.387838D+01  0.233472D+02
      4   0.116497D+02 -0.886613D+02  0.892247D+01
      5  -0.113871D+02  0.103338D+02 -0.881514D+02
      6   0.144884D+02  0.367310D+02  0.197979D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883813D+01  0.157151D+01  0.147515D+01 -0.274201D+01 -0.252501D+00
      2   0.157151D+01 -0.805911D+00  0.581891D+00 -0.252501D+00 -0.391429D+01
      3   0.147515D+01  0.581891D+00 -0.328374D+01 -0.229955D+01  0.793705D+00
                 6             7             8             9            10 
      1  -0.229955D+01  0.136324D+02  0.218938D+00  0.127227D+01 -0.316825D+02
      2   0.793705D+00  0.218938D+00 -0.138879D+01  0.141735D+01 -0.175339D+01
      3   0.804430D+00  0.127227D+01  0.141735D+01  0.137283D+01 -0.281367D+01
                11            12            13            14            15 
      1  -0.175339D+01 -0.281367D+01 -0.357987D+01 -0.417930D+01 -0.207013D+01
      2  -0.187633D+01  0.715003D+00 -0.417930D+01 -0.220311D+01 -0.604591D+00
      3   0.715003D+00 -0.271667D+01 -0.207013D+01 -0.604591D+00 -0.158434D+01
                16            17            18            19            20 
      1  -0.634514D+01 -0.219371D+01 -0.213901D+01 -0.115790D+02 -0.240957D+01
      2  -0.219371D+01 -0.610237D+00 -0.759811D+00 -0.240957D+01  0.251396D+01
      3  -0.213901D+01 -0.759811D+00 -0.130239D+01 -0.174636D+01 -0.161061D+01
                21            22            23            24            25 
      1  -0.174636D+01 -0.108330D+02  0.660661D-01 -0.263326D+00  0.754506D+01
      2  -0.161061D+01  0.660661D-01 -0.241948D+01  0.112889D+01  0.232629D+01
      3   0.700939D+00 -0.263326D+00  0.112889D+01  0.280685D+01 -0.319585D+00
                26            27            28            29            30 
      1   0.232629D+01 -0.319585D+00  0.282793D+02  0.351811D+01  0.320806D+01
      2   0.719845D+00  0.157401D+01  0.351811D+01  0.213847D+01 -0.496708D-01
      3   0.157401D+01  0.266394D+01  0.320806D+01 -0.496708D-01  0.268015D+01
                31            32            33            34            35 
      1   0.281436D+01  0.410336D+01  0.248642D+01  0.314972D+01  0.270655D+01
      2   0.410336D+01  0.173100D+01  0.136500D+01  0.270655D+01  0.158937D+01
      3   0.248642D+01  0.136500D+01  0.112035D+01  0.265196D+01 -0.523488D+00
                36            37            38            39            40 
      1   0.265196D+01 -0.765112D+01 -0.149269D+01 -0.196447D+01  0.401228D+01
      2  -0.523488D+00 -0.149269D+01  0.355264D+00 -0.256685D-01  0.102468D+01
      3   0.105391D+01 -0.196447D+01 -0.256685D-01  0.299928D+01  0.181289D+01
                41            42            43            44            45 
      1   0.102468D+01  0.181289D+01 -0.134133D+02 -0.130322D+01 -0.117014D+01
      2   0.369872D+01 -0.101547D+01 -0.130322D+01  0.160691D-01 -0.780401D+00
      3  -0.101547D+01 -0.865794D+00 -0.117014D+01 -0.780401D+00 -0.181305D+01
                46            47            48            49            50 
      1   0.104584D+02  0.205204D+01  0.159940D+01  0.105341D+02 -0.619679D+00
      2   0.205204D+01 -0.153570D+01  0.781630D+00 -0.619679D+00  0.222047D+01
      3   0.159940D+01  0.781630D+00 -0.705538D-01  0.113305D+01 -0.162701D+01
                51            52            53            54            55 
      1   0.113305D+01 -0.730713D+01 -0.162401D+01  0.262839D+00  0.191337D+02
      2  -0.162701D+01 -0.162401D+01 -0.745422D+00 -0.133254D+01 -0.842376D+00
      3  -0.247323D+01  0.262839D+00 -0.133254D+01 -0.249323D+01  0.412591D+00
                56            57            58            59            60 
      1  -0.842376D+00  0.412591D+00 -0.390090D+01  0.495040D+01  0.800836D+00
      2   0.227873D+01  0.352910D+00  0.495040D+01  0.584925D+01 -0.233591D+00
      3   0.352910D+00  0.113754D+01  0.800836D+00 -0.233591D+00 -0.928678D+00
                61            62            63            64            65 
      1  -0.584577D+01  0.102034D+01  0.243040D+01 -0.417484D+01  0.400221D+01
      2   0.102034D+01 -0.157961D+01 -0.304085D+00  0.400221D+01 -0.196646D+01
      3   0.243040D+01 -0.304085D+00  0.606752D+01  0.866990D+00 -0.445896D+00
                66            67            68            69            70 
      1   0.866990D+00  0.115915D+02 -0.328139D+01 -0.337812D+00  0.829636D+01
      2  -0.445896D+00 -0.328139D+01 -0.451103D+01  0.407032D+00 -0.516526D+00
      3  -0.220048D+01 -0.337812D+00  0.407032D+00  0.177347D+01 -0.319112D+01
                71            72            73            74            75 
      1  -0.516526D+00 -0.319112D+01 -0.211944D+01 -0.352252D+01 -0.202733D+01
      2   0.122621D+01  0.177672D+01 -0.352252D+01  0.198121D+01  0.743595D+00
      3   0.177672D+01 -0.772510D+01 -0.202733D+01  0.743595D+00  0.285202D+01
                76            77            78            79            80 
      1  -0.564024D+01  0.358421D+01  0.959855D+00 -0.391697D+01  0.889333D+00
      2   0.358421D+01  0.583362D+01 -0.210442D+01  0.889333D+00 -0.230800D+01
      3   0.959855D+00 -0.210442D+01 -0.163598D+01  0.442910D+01 -0.127370D+01
                81            82            83            84            85 
      1   0.442910D+01 -0.345000D+01 -0.422595D+01 -0.276649D+01 -0.557809D+01
      2  -0.127370D+01 -0.422595D+01  0.199340D+01  0.893918D+00  0.224393D+01
      3   0.505792D+01 -0.276649D+01  0.893918D+00  0.184530D+01  0.844248D+00
                86            87            88            89            90 
      1   0.224393D+01  0.844248D+00 -0.410973D+01  0.962573D+00  0.276685D+01
      2   0.209877D+01 -0.128438D+01  0.962573D+00 -0.211000D+01 -0.321424D+01
      3  -0.128438D+01 -0.238891D+01  0.276685D+01 -0.321424D+01  0.485049D+01
                91            92            93            94            95 
      1  -0.566150D+01  0.518332D+00 -0.401873D+00  0.604491D+00 -0.487898D+01
      2   0.518332D+00 -0.212545D+01 -0.706259D+00 -0.487898D+01 -0.304879D+01
      3  -0.401873D+00 -0.706259D+00 -0.139136D+01 -0.256414D+01 -0.240188D+01
                96            97            98            99           100 
      1  -0.256414D+01  0.432988D+01 -0.190381D+01 -0.285165D+01 -0.244118D+01
      2  -0.240188D+01 -0.190381D+01 -0.921438D+00  0.283508D+01 -0.146966D+01
      3   0.181725D+01 -0.285165D+01  0.283508D+01 -0.186359D+01  0.107983D+01
               101           102           103           104           105 
      1  -0.146966D+01  0.107983D+01 -0.426900D+01  0.703110D+00  0.377219D+01
      2  -0.218637D+00  0.128381D+01  0.703110D+00  0.426171D+00 -0.288386D+00
      3   0.128381D+01  0.429114D+00  0.377219D+01 -0.288386D+00 -0.414345D+01
               106           107           108           109           110 
      1   0.211811D+01  0.153620D+01 -0.100784D+01  0.527754D+01  0.227709D+01
      2   0.153620D+01  0.749363D+00 -0.245013D+01  0.227709D+01  0.154400D+01
      3  -0.100784D+01 -0.245013D+01  0.185153D+01 -0.332774D+01 -0.914401D+00
               111           112           113           114           115 
      1  -0.332774D+01  0.597571D+01  0.175865D+01 -0.232055D+01 -0.806407D+01
      2  -0.914401D+00  0.175865D+01  0.418582D+01 -0.168262D+01 -0.937905D+00
      3   0.146808D+01 -0.232055D+01 -0.168262D+01  0.320690D+01  0.394692D+01
               116           117           118           119           120 
      1  -0.937905D+00  0.394692D+01 -0.892389D+00  0.549387D-01  0.232660D+01
      2  -0.306112D+01  0.223184D+01  0.549387D-01 -0.154407D+01 -0.176798D+01
      3   0.223184D+01 -0.693318D+01  0.232660D+01 -0.176798D+01 -0.169296D+01
               121           122           123           124           125 
      1  -0.231630D+01  0.376089D+00 -0.205452D+01  0.494999D+01 -0.332581D+01
      2   0.376089D+00 -0.446428D+01  0.168057D+01 -0.332581D+01  0.373988D+01
      3  -0.205452D+01  0.168057D+01  0.122754D+01 -0.158203D+01  0.720745D+00
               126           127           128           129           130 
      1  -0.158203D+01 -0.350087D+01 -0.188040D+01  0.178780D+01 -0.235270D+01
      2   0.720745D+00 -0.188040D+01 -0.186996D+01  0.140754D+01 -0.168064D+01
      3   0.304876D+01  0.178780D+01  0.140754D+01 -0.153580D+01  0.183961D+01
               131           132           133           134           135 
      1  -0.168064D+01  0.183961D+01  0.233224D+01  0.156185D+01 -0.196983D+01
      2  -0.237378D+01  0.190169D+01  0.156185D+01  0.256924D+01 -0.238227D+01
      3   0.190169D+01 -0.249181D+01 -0.196983D+01 -0.238227D+01  0.345686D+01
               136           137           138           139           140 
      1   0.203601D+01 -0.585984D+00  0.205647D+01 -0.715952D+00  0.370720D+00
      2  -0.585984D+00  0.462919D+00 -0.672274D+00  0.370720D+00 -0.126170D+01
      3   0.205647D+01 -0.672274D+00  0.234541D+01 -0.911496D+00  0.138748D+01
               141           142           143           144           145 
      1  -0.911496D+00  0.216940D+01 -0.119198D+01  0.257489D+01  0.379706D+01
      2   0.138748D+01 -0.119198D+01  0.198488D+01 -0.271324D+01  0.144637D+01
      3  -0.310521D+01  0.257489D+01 -0.271324D+01  0.671388D+01 -0.147712D+01
               146           147           148           149           150 
      1   0.144637D+01 -0.147712D+01  0.195878D+01  0.118188D+01 -0.145198D+01
      2   0.126967D+01 -0.820735D+00  0.118188D+01  0.152529D+01 -0.131461D+01
      3  -0.820735D+00  0.135411D+01 -0.145198D+01 -0.131461D+01  0.208140D+01
               151           152           153           154           155 
      1  -0.218869D+01 -0.129619D+01  0.183358D+01 -0.183484D+01  0.574164D+00
      2  -0.129619D+01 -0.198648D+01  0.179843D+01  0.574164D+00 -0.302501D+00
      3   0.183358D+01  0.179843D+01 -0.327604D+01 -0.184327D+01  0.473116D+00
               156           157           158           159           160 
      1  -0.184327D+01  0.382227D+00 -0.278761D+00  0.668774D+00 -0.252963D+01
      2   0.473116D+00 -0.278761D+00  0.863400D+00 -0.110698D+01  0.106852D+01
      3  -0.216337D+01  0.668774D+00 -0.110698D+01  0.275270D+01 -0.253061D+01
               161           162           163           164           165 
      1   0.106852D+01 -0.253061D+01 -0.337698D+01 -0.157408D+01  0.184217D+00
      2  -0.157075D+01  0.215174D+01 -0.157408D+01 -0.170801D+01 -0.260889D+00
      3   0.215174D+01 -0.665226D+01  0.184217D+00 -0.260889D+00 -0.251783D+00
               166           167           168           169           170 
      1  -0.468951D+01 -0.323717D+01 -0.469503D+00  0.408049D+01  0.383855D+00
      2  -0.323717D+01 -0.837487D+01 -0.440147D+00  0.383855D+00  0.109944D+01
      3  -0.469503D+00 -0.440147D+00 -0.836910D+00 -0.478648D+00 -0.830865D+00
               171           172           173           174           175 
      1  -0.478648D+00 -0.103602D+01  0.288036D+00 -0.120858D+01  0.252974D+01
      2  -0.830865D+00  0.288036D+00 -0.499856D+00 -0.194076D+00 -0.681859D+00
      3  -0.282221D+00 -0.120858D+01 -0.194076D+00 -0.125173D+01  0.339182D+00
               176           177           178           179           180 
      1  -0.681859D+00  0.339182D+00 -0.339917D+01 -0.178069D+00 -0.209950D+01
      2  -0.367490D+00 -0.708500D+00 -0.178069D+00 -0.113118D+01 -0.789215D+00
      3  -0.708500D+00  0.874120D+00 -0.209950D+01 -0.789215D+00 -0.696231D+01
               181           182           183           184           185 
      1   0.116379D+01 -0.103662D+01  0.100899D+01 -0.209973D+01  0.304771D+00
      2  -0.103662D+01  0.417519D+00  0.578167D-01  0.304771D+00  0.402891D-01
      3   0.100899D+01  0.578167D-01  0.709137D+00 -0.117336D+00  0.862575D+00
               186           187           188           189           190 
      1  -0.117336D+00  0.224834D+01 -0.411727D-01  0.338854D+00 -0.985096D+00
      2   0.862575D+00 -0.411727D-01  0.138343D+01 -0.819079D+00 -0.117556D+01
      3  -0.863669D+00  0.338854D+00 -0.819079D+00  0.719301D+01  0.436448D+00
               191           192           193           194           195 
      1  -0.117556D+01  0.436448D+00 -0.368663D+01 -0.345671D+01  0.366205D+00
      2  -0.131885D+01  0.156826D+00 -0.345671D+01 -0.808128D+01  0.111770D+01
      3   0.156826D+00 -0.486251D+00  0.366205D+00  0.111770D+01 -0.123009D+01
               196           197           198           199           200 
      1   0.120240D+01  0.495747D+00 -0.110056D+01 -0.174754D+01  0.305167D+00
      2   0.495747D+00  0.154330D+01 -0.926907D+00  0.305167D+00 -0.435209D+00
      3  -0.110056D+01 -0.926907D+00  0.267536D+00 -0.118346D+01 -0.235115D-01
               201           202           203           204           205 
      1  -0.118346D+01  0.117335D+01 -0.904875D+00  0.282579D+00 -0.423307D+01
      2  -0.235115D-01 -0.904875D+00 -0.249433D+00 -0.577596D+00 -0.264084D+00
      3  -0.147919D+01  0.282579D+00 -0.577596D+00  0.786865D+00 -0.339267D+01
               206           207           208           209           210 
      1  -0.264084D+00 -0.339267D+01 -0.731154D+01  0.200378D+01  0.237026D+01
      2  -0.126061D+01  0.169781D+00  0.200378D+01 -0.152908D+01 -0.767732D+00
      3   0.169781D+00 -0.662340D+01  0.237026D+01 -0.767732D+00 -0.180763D+01
               211           212           213           214           215 
      1   0.536482D+01 -0.227958D+01 -0.129931D+01  0.517868D+01 -0.102222D+01
      2  -0.227958D+01  0.139637D+01  0.110526D+01 -0.102222D+01  0.150115D+01
      3  -0.129931D+01  0.110526D+01  0.140059D+01 -0.280281D+01  0.958854D+00
               216           217           218           219           220 
      1  -0.280281D+01 -0.428446D+01  0.322789D+01  0.171808D+01  0.273530D+01
      2   0.958854D+00  0.322789D+01 -0.337894D+01 -0.115666D+01 -0.296500D+01
      3   0.175002D+01  0.171808D+01 -0.115666D+01 -0.151435D+01 -0.116144D+01
               221           222           223           224           225 
      1  -0.296500D+01 -0.116144D+01  0.302999D+01 -0.191655D+01 -0.188750D+01
      2   0.408713D+01  0.167554D+01 -0.191655D+01  0.295376D+01  0.202286D+01
      3   0.167554D+01  0.144991D+01 -0.188750D+01  0.202286D+01  0.169689D+01
               226           227           228           229           230 
      1  -0.459587D+00  0.882661D+00 -0.709446D+00  0.726257D+00 -0.562137D+00
      2   0.882661D+00 -0.769304D+00  0.241300D+00 -0.562137D+00  0.118202D+01
      3  -0.709446D+00  0.241300D+00 -0.109086D+01  0.167627D+00 -0.947673D+00
               231           232           233           234           235 
      1   0.167627D+00 -0.194744D+01  0.728787D+00 -0.148204D+01  0.816515D+01
      2  -0.947673D+00  0.728787D+00 -0.262663D+01  0.234226D+01  0.115471D+01
      3   0.113788D+01 -0.148204D+01  0.234226D+01 -0.616078D+01  0.111139D+01
               236           237           238           239           240 
      1   0.115471D+01  0.111139D+01  0.106462D+01  0.130638D+01  0.185795D+00
      2   0.260744D+01  0.324981D+00  0.130638D+01  0.141549D+01  0.407953D+00
      3   0.324981D+00  0.787402D+00  0.185795D+00  0.407953D+00  0.725074D+00
               241           242           243           244           245 
      1   0.114085D+01  0.322551D+00  0.284891D+00 -0.296678D+00 -0.108463D+01
      2   0.322551D+00  0.806085D+00  0.879070D+00 -0.108463D+01  0.596451D+00
      3   0.284891D+00  0.879070D+00  0.161355D+00  0.115766D+01 -0.215991D+00
               246           247           248           249           250 
      1   0.115766D+01 -0.214083D+01  0.926464D+00 -0.423188D+00  0.227956D+01
      2  -0.215991D+00  0.926464D+00 -0.144301D+01  0.143620D+01 -0.171829D+00
      3   0.110191D+01 -0.423188D+00  0.143620D+01 -0.199411D+01  0.195413D+01
               251           252           253           254           255 
      1  -0.171829D+00  0.195413D+01 -0.762230D+01 -0.389990D+01 -0.408117D+01
      2   0.190822D+01 -0.149148D+01 -0.389990D+01  0.907534D+00  0.357634D+00
      3  -0.149148D+01  0.525072D+01 -0.408117D+01  0.357634D+00  0.165521D+01
               256           257           258           259           260 
      1   0.158489D+01  0.338674D+01  0.110611D+01 -0.371237D+01  0.560918D+00
      2   0.338674D+01  0.333453D+01  0.208109D+01  0.560918D+00  0.140849D+01
      3   0.110611D+01  0.208109D+01 -0.191578D+01  0.193749D+01 -0.306737D+01
               261           262           263           264           265 
      1   0.193749D+01  0.417675D+01 -0.292977D+01 -0.188395D+01 -0.187082D+01
      2  -0.306737D+01 -0.292977D+01  0.271421D+01  0.130995D+01  0.204961D+01
      3   0.196123D-01 -0.188395D+01  0.130995D+01  0.173399D+01  0.102270D+01
               266           267           268           269           270 
      1   0.204961D+01  0.102270D+01 -0.393957D+01  0.306106D+01  0.298588D+01
      2  -0.320892D+01 -0.116494D+01  0.306106D+01 -0.355851D+01 -0.254962D+01
      3  -0.116494D+01 -0.133109D+01  0.298588D+01 -0.254962D+01 -0.316264D+01
               271           272           273           274           275 
      1  -0.152137D+01  0.110666D+01  0.160320D+01  0.555338D+00 -0.782208D+00
      2   0.110666D+01 -0.222487D+01 -0.147623D+01 -0.782208D+00  0.177584D+01
      3   0.160320D+01 -0.147623D+01 -0.231299D+01 -0.522712D+00  0.123567D+01
               276           277           278           279           280 
      1  -0.522712D+00  0.210723D+01 -0.467194D+00 -0.105360D+01  0.321512D+00
      2   0.123567D+01 -0.467194D+00  0.242774D+01  0.260707D+01  0.643770D+00
      3   0.154213D+01 -0.105360D+01  0.260707D+01  0.421885D+01 -0.259143D+00
               281           282           283           284           285 
      1   0.643770D+00 -0.259143D+00  0.918194D+00  0.399124D-01 -0.427643D-01
      2  -0.716221D+00  0.788693D-01  0.399124D-01  0.306522D+01 -0.154510D+01
      3   0.788693D-01 -0.449180D+00 -0.427643D-01 -0.154510D+01  0.180555D+01
               286           287           288           289           290 
      1  -0.173613D+01 -0.546949D+00 -0.401693D+00  0.119819D+02  0.425567D+01
      2  -0.546949D+00 -0.356886D+01  0.156001D+01  0.425567D+01  0.304457D+01
      3  -0.401693D+00  0.156001D+01 -0.285548D+01  0.329094D+01  0.134780D+01
               291           292           293           294           295 
      1   0.329094D+01  0.188967D+01  0.166383D+01  0.521683D+00  0.289755D+01
      2   0.134780D+01  0.166383D+01  0.119207D+01  0.461555D+00  0.105772D+01
      3   0.189932D+01  0.521683D+00  0.461555D+00  0.476029D+00  0.179079D+01
               296           297 
      1   0.105772D+01  0.179079D+01
      2   0.801181D+00  0.116262D+01
      3   0.116262D+01  0.141006D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.232951D+01 -0.728279D+00 -0.230138D+01 -0.706021D+01 -0.131259D+01
      2   0.238316D+01 -0.199908D+01  0.222165D+01 -0.618621D+01  0.166884D+01
      3  -0.657151D+01 -0.351525D+01  0.145120D-01  0.108031D+02 -0.990188D+00
                 6             7             8             9            10 
      1  -0.360970D+01 -0.448391D+01  0.244536D+01 -0.706652D+00 -0.994415D+00
      2  -0.141621D+01 -0.494014D+01 -0.128618D+01 -0.279607D-01  0.463505D+01
      3   0.313594D+01 -0.353101D+01 -0.153438D+01  0.329380D+01  0.132755D+02
                11            12            13            14            15 
      1  -0.190066D+01  0.143447D+01 -0.542985D+01  0.478942D+01 -0.690183D+01
      2   0.101926D+01 -0.370733D+01  0.716533D+01  0.283336D+01 -0.249325D+01
      3   0.181145D+01  0.995460D+00  0.151124D+02  0.135911D+01  0.116875D+01
                16            17            18            19            20 
      1   0.719884D+01  0.577777D+00 -0.543806D+01 -0.221567D+01  0.129979D+01
      2  -0.214338D+02 -0.223562D+01  0.110305D+01  0.139286D+01 -0.208977D+01
      3  -0.394080D+01  0.121199D+01 -0.119972D+01  0.230961D+01 -0.766570D+00
                21            22            23            24            25 
      1  -0.883052D+00  0.404625D+01  0.122977D+01  0.151616D+00  0.323110D+01
      2   0.809519D+01  0.299545D+01 -0.303634D+01  0.344752D+01 -0.891869D+01
      3   0.314989D+01  0.126558D+02  0.314279D+01  0.586905D+00  0.242530D+01
                26            27            28            29            30 
      1   0.306369D+01  0.361065D+01  0.145093D+01 -0.187966D+01  0.465870D+01
      2   0.455193D-01 -0.109017D+00 -0.483060D+01  0.723955D+00 -0.350705D+01
      3   0.752050D-01 -0.228122D+01 -0.127695D+02 -0.112529D+01 -0.271733D+01
                31            32            33            34            35 
      1  -0.134524D+01  0.513679D+01 -0.573247D+01  0.876396D+01  0.237758D+01
      2   0.686239D+01  0.274153D+01 -0.428353D+01 -0.209728D+02 -0.641519D+01
      3   0.143564D+02  0.138614D+01 -0.151483D+01 -0.101763D+02 -0.300035D+00
                36            37            38            39            40 
      1  -0.388029D+01  0.894909D+00 -0.119930D+01  0.466451D+00 -0.509547D+01
      2  -0.395774D+01  0.678354D+01 -0.842323D+00  0.311413D+01 -0.758636D+01
      3  -0.114304D+01  0.239496D+01 -0.188569D+01  0.256801D+01  0.920260D+01
                41            42            43            44            45 
      1  -0.236635D+01 -0.340375D+01 -0.406577D+01  0.133814D+01 -0.269089D+01
      2   0.106014D+01 -0.220155D+01  0.201897D+00 -0.272869D+00  0.478048D+00
      3  -0.536667D+00  0.280151D+01  0.881699D+01  0.759516D+00  0.481693D+01
                46            47            48            49            50 
      1  -0.718657D+00  0.260469D+01 -0.135192D+01  0.627730D+01  0.536993D+00
      2  -0.298845D+01 -0.338254D+01  0.800352D+01 -0.557572D+01 -0.323504D+01
      3  -0.115461D+02 -0.321177D+01  0.196136D+01  0.696770D+01  0.149692D+01
                51            52            53            54            55 
      1  -0.193862D+01  0.286306D+01  0.238451D+01  0.880682D+00 -0.186148D+01
      2   0.461976D+01 -0.541679D+01  0.609717D+00 -0.129943D+01  0.344730D+01
      3  -0.123815D+01  0.933606D+01  0.101967D+01 -0.191121D+01 -0.153272D+02
                56            57            58            59            60 
      1   0.582426D+00 -0.265386D+00  0.213670D+00 -0.681852D+01 -0.254604D+01
      2  -0.120074D+01  0.115068D+01 -0.267053D+01  0.572775D+01  0.332963D+01
      3   0.540768D+01  0.123978D+01  0.271935D+02  0.139663D+02 -0.108361D+01
                61            62            63            64            65 
      1   0.798749D+00  0.190147D+01  0.663987D+01  0.221187D+01 -0.365889D+00
      2  -0.192384D+02  0.262825D+01 -0.222966D+02 -0.898023D+01  0.200157D+01
      3   0.874427D+01 -0.558685D+01 -0.462985D+01  0.245788D+02 -0.121522D+02
                66            67            68            69            70 
      1   0.848020D+00  0.111122D+01 -0.533484D+00 -0.258619D+01 -0.105577D+01
      2   0.111452D+02  0.389253D+01 -0.405945D+01 -0.628736D+01  0.117993D+02
      3  -0.187423D+01 -0.131659D+02 -0.175695D+02  0.195783D+01 -0.815474D+01
                71            72            73            74            75 
      1   0.371179D+01  0.142036D+01 -0.839830D+00 -0.407901D+00  0.124727D+01
      2  -0.896310D+01  0.359226D+02  0.134898D+02 -0.410189D+01 -0.148958D+02
      3   0.473753D+01  0.896606D+01 -0.182996D+02  0.118773D+02  0.535830D+01
                76            77            78            79            80 
      1  -0.120361D+01 -0.199501D+01 -0.187991D+01  0.211978D+01  0.131691D+01
      2  -0.565611D+01  0.135038D+02  0.811499D+01 -0.300290D+02  0.696521D+01
      3   0.284450D+02  0.334760D+02 -0.127864D+02  0.684255D+01 -0.134604D+02
                81            82            83            84            85 
      1   0.212344D+01  0.525291D+01 -0.190349D+01 -0.426496D+01 -0.227098D+01
      2  -0.291655D+02  0.102297D+02 -0.439808D+01 -0.542325D+01 -0.499389D+01
      3  -0.100274D+02 -0.281467D+02 -0.475481D+01 -0.177945D+01  0.789278D+00
                86            87            88            89            90 
      1   0.531409D+01  0.388613D+01 -0.658875D+01  0.960290D+01 -0.945406D+01
      2   0.496869D+01  0.918934D+01 -0.132587D+02  0.122864D+02 -0.191050D+02
      3   0.114600D+02 -0.312907D+01 -0.181693D+01 -0.552190D+01 -0.888255D+01
                91            92            93            94            95 
      1  -0.145782D+01 -0.226201D+01  0.690411D+00 -0.384598D+01 -0.155982D+01
      2   0.101530D+02 -0.176247D+01  0.102463D+01 -0.896453D+01 -0.415108D+01
      3  -0.642165D+01  0.141081D+01  0.190278D+01  0.234692D+02  0.855122D+01
                96            97            98            99           100 
      1  -0.646676D+01  0.349256D+01  0.215274D+01  0.409754D+01  0.196411D+01
      2   0.884249D+01 -0.235834D+02  0.104676D+02 -0.447809D+01 -0.184542D+02
      3   0.764383D+01  0.872448D+01  0.485034D+01 -0.104254D+02  0.147852D+02
               101           102           103           104           105 
      1   0.767814D+01 -0.107507D+01  0.200710D+01  0.663749D+01  0.268832D+01
      2   0.699190D+01  0.455558D+01  0.121532D+02 -0.197892D+00 -0.115384D+02
      3  -0.426078D+01 -0.476377D+01 -0.184946D+01 -0.412394D+01 -0.219019D+01
               106           107           108           109           110 
      1  -0.277884D+01 -0.607397D+00 -0.355289D+01 -0.187024D+01 -0.490264D+01
      2  -0.728912D+01 -0.851769D+01  0.191265D+02 -0.527693D+01 -0.343653D+01
      3   0.260145D+00 -0.151123D+02  0.704223D+01 -0.984189D+01 -0.933424D+01
               111           112           113           114           115 
      1  -0.844507D+00 -0.643654D+00 -0.600122D+01 -0.335304D+01 -0.577185D+00
      2   0.828615D+01 -0.774062D+01 -0.788647D+01  0.118388D+02  0.103638D+02
      3   0.354149D+01 -0.915740D+00 -0.166691D+02  0.652427D+01 -0.468300D+01
               116           117           118           119           120 
      1   0.901119D+01  0.862952D+00  0.294348D+01 -0.925422D+00 -0.616952D+00
      2   0.100526D+02 -0.312367D+02  0.108705D+02 -0.779697D+01 -0.364344D+01
      3   0.167028D+02 -0.811680D+01 -0.562798D+00  0.353126D+01  0.443536D+01
               121           122           123           124           125 
      1   0.150316D+01  0.671278D+00 -0.669035D+01 -0.298832D+01  0.275222D+01
      2  -0.369918D+01  0.608252D+01  0.188642D+01 -0.685088D+01  0.236877D+01
      3   0.382772D+01  0.188251D+02 -0.558672D+01  0.832672D+01 -0.104558D+02
               126           127           128           129           130 
      1   0.592892D+01  0.351962D+00 -0.197941D+01 -0.105523D+01  0.906172D+00
      2   0.117748D+02  0.552203D+01  0.105341D+01  0.227025D+00  0.182345D+01
      3   0.179807D+00  0.456119D+01 -0.635733D+00 -0.797099D+00  0.435841D+01
               131           132           133           134           135 
      1  -0.377301D+00 -0.342794D+01 -0.577265D+00  0.206564D+01  0.179748D+01
      2   0.472838D+00  0.579019D+00 -0.310806D+01 -0.721907D-01 -0.162334D+01
      3  -0.129919D+01 -0.510033D+00 -0.173059D+01  0.175488D+01  0.680337D-01
               136           137           138           139           140 
      1   0.148882D+01  0.115981D+01  0.220976D+01 -0.476212D+00 -0.829029D+00
      2  -0.362315D+01  0.151389D+00 -0.568354D+00  0.435629D+00  0.613444D-01
      3  -0.329343D+01 -0.449462D+00 -0.165025D+01  0.166960D+01  0.744284D+00
               141           142           143           144           145 
      1  -0.292191D+01  0.504576D+00  0.340268D+01  0.241342D+01 -0.123027D+01
      2  -0.119036D+01 -0.479162D+01  0.139388D+00  0.109579D+01  0.685270D+01
      3   0.600995D+00 -0.259340D+01 -0.813829D+00 -0.161514D+01  0.357724D+01
               146           147           148           149           150 
      1  -0.274784D+01 -0.442608D+00 -0.819272D+00 -0.143513D+01 -0.208842D+01
      2   0.135423D+01 -0.271397D+00  0.340005D+01  0.659474D+00  0.551905D+00
      3  -0.851320D+00 -0.452618D+00  0.304072D+01 -0.108611D+01  0.131704D-01
               151           152           153           154           155 
      1   0.299056D+00  0.283573D+01  0.317175D+00 -0.352422D+00  0.148934D+01
      2  -0.267629D+01 -0.378658D+00 -0.118066D+01 -0.407624D+01  0.500312D+00
      3  -0.803523D+00  0.231156D+01 -0.201564D+00 -0.135308D+01 -0.508375D+00
               156           157           158           159           160 
      1   0.604657D+00  0.852647D-01 -0.134284D+01 -0.103541D+01 -0.152063D+01
      2  -0.324841D+00  0.401940D+00  0.191129D+00 -0.140176D+01 -0.527763D+01
      3  -0.243800D+00  0.121364D+01  0.639446D+00 -0.193659D+00 -0.720129D+00
               161           162           163           164           165 
      1   0.468618D+01 -0.121175D+01  0.110803D+01  0.104160D+01 -0.963863D+00
      2   0.227657D+00  0.192578D+01 -0.360648D+01 -0.500367D+00  0.210627D+01
      3  -0.149732D+01  0.262834D-01 -0.133331D+01 -0.529482D+01 -0.871965D+00
               166           167           168           169           170 
      1   0.145697D+01  0.565191D+01 -0.330010D+01 -0.927875D+00 -0.850313D+00
      2  -0.160746D+01 -0.221159D+01  0.295657D+01  0.128534D+01  0.243536D+01
      3  -0.220999D+01 -0.230082D+02 -0.133184D+01 -0.267657D+01  0.336875D+01
               171           172           173           174           175 
      1   0.111511D+00 -0.159702D+01  0.629070D+00 -0.972154D+00 -0.124254D+00
      2   0.124954D+01  0.415551D+01  0.767127D+00  0.503747D+01  0.117645D+01
      3  -0.149544D+01  0.279127D+01 -0.280796D+01  0.676194D+00 -0.191027D+01
               176           177           178           179           180 
      1  -0.550015D+00  0.246065D-01 -0.175440D+01  0.326881D+01 -0.733860D+01
      2   0.133732D+01 -0.314995D+01  0.850180D-01  0.213543D+01  0.211048D+02
      3  -0.561047D+00 -0.212605D+01  0.240400D+01 -0.395580D+01  0.638203D+00
               181           182           183           184           185 
      1  -0.186274D+01  0.921459D+00 -0.129881D+00  0.435200D+00 -0.136542D+00
      2  -0.734238D+01  0.706793D+00 -0.336220D+01  0.248005D+01 -0.403787D+01
      3  -0.496169D+01  0.143155D+01 -0.202912D+00  0.414500D+01  0.110098D+00
               186           187           188           189           190 
      1  -0.700760D+00 -0.828569D+00  0.357482D+01 -0.111626D+01  0.134696D+00
      2   0.411314D+01 -0.764969D+01  0.399271D+01 -0.305520D+02 -0.260762D+01
      3   0.366503D+01 -0.885212D+00  0.543540D+01 -0.364610D+01 -0.642391D+01
               191           192           193           194           195 
      1   0.726047D-01 -0.635269D+00  0.322600D+00  0.400220D+00 -0.356581D+01
      2  -0.786674D+00  0.322480D+01 -0.174577D+01 -0.688973D+01  0.786683D+01
      3  -0.797427D+01  0.557590D+00 -0.129953D+02 -0.440654D+02  0.624885D+01
               196           197           198           199           200 
      1  -0.563230D+00  0.486469D+00  0.431174D+00 -0.697719D+00  0.454519D+00
      2   0.446190D+01  0.493893D+01 -0.130705D+01  0.694407D+01  0.209195D+00
      3   0.162860D+01  0.868085D+01 -0.408619D+01  0.253776D+01 -0.350894D+01
               201           202           203           204           205 
      1  -0.904299D+00  0.154294D+00 -0.418147D+00 -0.546672D+00 -0.116757D+01
      2   0.970811D+01 -0.929018D+00  0.286422D+01 -0.452088D+01  0.147708D+02
      3   0.489928D+00 -0.380195D+01 -0.819923D+00 -0.289666D+01  0.494146D+00
               206           207           208           209           210 
      1   0.322855D+01 -0.277052D+01  0.845796D+00 -0.970771D+00  0.128486D-01
      2  -0.134517D+01  0.381020D+02 -0.128740D+02  0.430158D+01  0.128817D+02
      3  -0.786270D+01  0.324414D+01  0.138306D+02 -0.122517D+02 -0.554061D+01
               211           212           213           214           215 
      1  -0.327856D+00  0.100284D+01 -0.670829D+00 -0.473405D+00  0.190338D+01
      2   0.666981D+01 -0.638532D+01 -0.919171D+01  0.139242D+02 -0.561174D+01
      3  -0.128996D+02  0.980053D+01  0.693704D+01 -0.727355D+01  0.102402D+02
               216           217           218           219           220 
      1   0.990945D-01 -0.363707D+01  0.176826D+01  0.475887D+01  0.288913D+01
      2  -0.103633D+02 -0.638485D+01  0.468259D+01  0.764802D+01  0.404533D+01
      3   0.669042D+01  0.491405D+01 -0.102935D+02 -0.152866D+01 -0.323044D+01
               221           222           223           224           225 
      1  -0.302889D+01 -0.469115D+01  0.409491D+01 -0.222702D+01 -0.384403D+01
      2  -0.652906D+01 -0.677085D+01  0.585065D+01 -0.793771D+01 -0.704336D+01
      3   0.118367D+02  0.424426D+01 -0.109227D+01  0.936390D+01  0.502857D+01
               226           227           228           229           230 
      1   0.139363D+01 -0.294169D-01  0.231495D+01 -0.477521D+00  0.154237D+01
      2   0.280938D+01 -0.980436D+00  0.467443D+01 -0.267909D+00  0.319008D+01
      3   0.365724D+01 -0.265196D+01  0.218067D+00  0.480557D+00  0.348454D+01
               231           232           233           234           235 
      1  -0.395585D+01  0.266399D+01 -0.106474D+01  0.132847D+02 -0.108510D+01
      2  -0.395935D+01  0.148374D+01 -0.855292D+01  0.234593D+02 -0.403182D+01
      3  -0.304682D+01 -0.142884D+01 -0.101517D+02  0.757521D+01  0.264542D+02
               236           237           238           239           240 
      1  -0.393362D+00 -0.269718D+01  0.472916D-01 -0.851795D+00 -0.201568D+01
      2  -0.970295D+00 -0.150661D+01 -0.430609D+00 -0.154439D+01 -0.130122D+01
      3   0.104027D+02  0.361049D+01  0.101410D+02  0.655030D+01  0.215667D+01
               241           242           243           244           245 
      1  -0.186899D+01  0.113625D-01 -0.337997D-01 -0.184519D+01  0.878693D+00
      2  -0.398433D+01 -0.255128D+01 -0.282127D+00  0.447857D+01  0.485717D+00
      3   0.327593D+01  0.334353D+01  0.397960D+01  0.401888D+01 -0.247758D+01
               246           247           248           249           250 
      1  -0.699404D+00  0.551123D+00 -0.274813D+01  0.521274D+00 -0.104622D+01
      2   0.343320D+01  0.178635D+01  0.394510D+01 -0.589544D+01  0.112291D+01
      3   0.109957D+01 -0.102737D+00  0.451283D+01 -0.458547D+01 -0.138455D+00
               251           252           253           254           255 
      1   0.463948D+01 -0.240758D+01  0.362999D+01  0.127375D+01 -0.495277D+01
      2  -0.499908D+01  0.141767D+02 -0.596341D+01  0.441454D+01  0.124057D+02
      3  -0.628148D+01  0.553604D+01 -0.321703D+01 -0.141200D+02 -0.951495D+01
               256           257           258           259           260 
      1   0.305844D+01 -0.741942D+00  0.725988D+01 -0.295615D+01  0.123766D+02
      2   0.234551D+01  0.424666D+01 -0.895163D+01  0.918810D+01 -0.113607D+02
      3  -0.141981D+02 -0.791793D+01 -0.683408D+01 -0.814471D+01 -0.461525D+01
               261           262           263           264           265 
      1  -0.390441D+01 -0.218775D+01  0.599651D+00  0.301401D+01  0.229976D+01
      2  -0.112248D+01 -0.594344D+01  0.524242D+01  0.690253D+01  0.371687D+01
      3   0.142990D+02  0.601697D+01 -0.859974D+01 -0.269825D+01 -0.412572D+01
               266           267           268           269           270 
      1  -0.189966D+01 -0.263519D+01  0.309285D+01 -0.958114D+00 -0.444729D+01
      2  -0.496676D+01 -0.570817D+01  0.962922D+01 -0.979095D+01 -0.134388D+02
      3   0.988547D+01  0.306980D+01 -0.693225D+01  0.122724D+02  0.717663D+01
               271           272           273           274           275 
      1  -0.241196D+01 -0.114525D+01  0.417402D+01 -0.468233D+00 -0.496626D+00
      2   0.836058D+01 -0.521670D+01 -0.808882D+01 -0.229350D+01  0.496228D+01
      3  -0.855223D+01  0.763829D+01  0.767288D+01  0.549163D+01 -0.660909D+01
               276           277           278           279           280 
      1  -0.321553D+01  0.260172D+01 -0.391021D+00 -0.583033D+01  0.225287D+01
      2   0.510489D+01 -0.802409D+01  0.820262D+01  0.132847D+02 -0.186766D+01
      3  -0.518439D+01  0.660844D+01 -0.809266D+01 -0.111319D+02 -0.318490D+01
               281           282           283           284           285 
      1  -0.713409D+00  0.201543D+01 -0.655532D-01  0.666654D+01 -0.729731D+01
      2  -0.215017D+00 -0.140293D+01 -0.854135D+00 -0.494032D+01  0.559075D+01
      3   0.265828D+01 -0.132212D+01  0.285982D+01 -0.949089D+01  0.518659D+01
               286           287           288           289           290 
      1   0.157592D+01 -0.501275D+01  0.111152D+02 -0.138816D+01  0.200089D+01
      2  -0.295361D+01  0.539137D+01 -0.914250D+01 -0.196440D+01  0.350403D+00
      3  -0.339190D+01  0.106477D+02 -0.668500D+01  0.728768D+01 -0.631562D+01
               291           292           293           294           295 
      1  -0.339398D+01  0.597007D+00  0.586829D+00 -0.209658D+01 -0.226271D+01
      2   0.559795D+01 -0.148789D+00 -0.445742D+00  0.222966D+01  0.172292D+01
      3   0.119201D+01 -0.310690D+00 -0.166610D+01 -0.819105D-02  0.222656D+01
               296           297 
      1  -0.426555D+00 -0.123243D+01
      2   0.258898D+01  0.323271D+01
      3  -0.153393D+01 -0.108242D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.636434D+01 -0.101986D+02  0.189505D+02  0.143049D+02 -0.139585D+02
      2  -0.406776D+01  0.312278D+01 -0.170519D+01 -0.901525D+00  0.212395D+02
      3   0.104321D+02  0.707582D+01 -0.172454D+02 -0.134034D+02 -0.728102D+01
      4  -0.994731D+01 -0.561144D+01  0.830649D+01  0.148241D+01  0.137959D+00
      5   0.775160D+01  0.649697D+01  0.363213D+01  0.896559D+01  0.302995D+01
      6   0.576809D+01 -0.238836D+01  0.257858D+01  0.644134D+01  0.278135D+00
                 6             7             8             9            10 
      1   0.307432D+01 -0.356229D+02 -0.134067D+02  0.622516D+01  0.596251D+02
      2  -0.515147D+01  0.124971D+02  0.789425D+01 -0.876954D+01 -0.231021D+02
      3   0.207715D+01  0.231257D+02  0.551248D+01  0.254438D+01 -0.365230D+02
      4   0.370902D+01 -0.313955D+01  0.152237D+01 -0.564730D+01  0.257745D+01
      5  -0.724592D+01  0.577905D+01 -0.673789D+01  0.281880D+01  0.479963D+01
      6   0.653970D+00 -0.109560D+02 -0.676181D+01  0.695432D+01  0.256282D+01
                11            12            13            14            15 
      1   0.118819D+01  0.577923D+01 -0.478300D+01 -0.525051D+01  0.779295D+01
      2   0.165255D+01 -0.555629D+01  0.416379D+01  0.654919D+01 -0.358584D+01
      3  -0.284074D+01 -0.222943D+00  0.619212D+00 -0.129868D+01 -0.420711D+01
      4   0.185641D+01 -0.458255D+01  0.956062D+01  0.322512D+01  0.718306D+00
      5  -0.459479D+01  0.324389D+01  0.122687D+02 -0.854677D-01  0.153079D+01
      6  -0.160535D+01  0.310066D+01  0.455859D+01  0.342008D+01  0.108690D+02
                16            17            18            19            20 
      1   0.800991D+01  0.101416D+02 -0.128227D+02  0.124228D+02  0.174170D+02
      2   0.214864D+01  0.470634D+01  0.227116D+01  0.285193D+01 -0.134840D+02
      3  -0.101585D+02 -0.148480D+02  0.105515D+02 -0.152747D+02 -0.393304D+01
      4   0.184733D+02  0.684282D+00 -0.358951D+00  0.307028D+01  0.353472D+01
      5  -0.617772D+01  0.170317D+00  0.418156D+01 -0.129141D+02  0.196122D+01
      6   0.496813D+01  0.570162D+01 -0.414159D+01 -0.275151D+01  0.424935D+01
                21            22            23            24            25 
      1  -0.158780D+02 -0.123569D+02 -0.337216D+01 -0.150419D+02  0.153040D+02
      2   0.113401D+02  0.293494D+01  0.110428D+02 -0.606577D+01 -0.434792D+01
      3   0.453793D+01  0.942194D+01 -0.767063D+01  0.211077D+02 -0.109560D+02
      4   0.384241D+00  0.122967D+02 -0.582256D+01 -0.813088D+00  0.285868D+01
      5  -0.105376D+02 -0.110085D+01 -0.725713D+00  0.743189D-01  0.709397D+01
      6  -0.593299D+01 -0.387992D+01 -0.258606D+01  0.778768D+00  0.129806D+02
                26            27            28            29            30 
      1  -0.686842D+01  0.143504D+01  0.120109D+02  0.445855D+01  0.819950D+00
      2  -0.105467D+01 -0.204814D+01 -0.292961D+01 -0.299311D+01 -0.323132D+01
      3   0.792309D+01  0.613102D+00 -0.908132D+01 -0.146544D+01  0.241137D+01
      4  -0.250093D+01  0.882969D+01  0.372831D+01  0.364168D+01 -0.193153D+01
      5   0.824377D+01 -0.663621D+01  0.815745D+01 -0.124553D+01  0.571025D+01
      6   0.156482D+01  0.124344D+02  0.817734D+01  0.338821D+01 -0.865388D+00
                31            32            33            34            35 
      1  -0.954415D+01 -0.681356D+01  0.938335D+01  0.585290D+00  0.117556D+02
      2  -0.116662D+01  0.245879D+01 -0.396695D+01  0.467981D+01  0.324198D+01
      3   0.107108D+02  0.435478D+01 -0.541639D+01 -0.526510D+01 -0.149975D+02
      4   0.990103D+01  0.286123D+01  0.305508D+01  0.204126D+02  0.200204D+01
      5   0.177649D+02  0.407184D+01  0.593071D+00 -0.359621D+01 -0.341205D+01
      6   0.394801D+01  0.518025D+01  0.100311D+02  0.230034D+01  0.595292D+01
                36            37            38            39            40 
      1  -0.148217D+02  0.391463D+01 -0.775017D+01  0.205040D+02  0.109662D+02
      2   0.260578D+01 -0.873288D+01  0.188683D+01 -0.432631D+01  0.107621D+01
      3   0.122159D+02  0.481825D+01  0.586335D+01 -0.161777D+02 -0.120424D+02
      4  -0.373276D+01 -0.114609D+02 -0.466754D+01  0.576470D+01  0.502711D+01
      5  -0.977395D+00  0.863820D+01  0.362080D+01  0.397156D+01  0.441952D+01
      6  -0.603043D+01  0.396133D+01 -0.329082D+01 -0.197758D+01  0.336607D+01
                41            42            43            44            45 
      1  -0.623439D+01 -0.789455D+00 -0.207974D+02 -0.109897D+02  0.851421D+01
      2   0.121480D+02 -0.188356D+01  0.379987D+01  0.327515D+01 -0.745123D+01
      3  -0.591359D+01  0.267301D+01  0.169976D+02  0.771451D+01 -0.106298D+01
      4   0.651904D+00  0.682234D+00 -0.660802D+01 -0.337163D+01 -0.568668D+01
      5   0.228914D+01 -0.815726D+01  0.777185D+01 -0.520199D+01  0.152304D+01
      6   0.221904D+01  0.232004D+01 -0.126550D+02 -0.444738D+01  0.716820D+01
                46            47            48            49            50 
      1  -0.488542D+01  0.104256D+02 -0.136475D+02 -0.230779D+02  0.193324D+01
      2   0.994617D+01 -0.601495D+01  0.913948D+01  0.835791D+01  0.415347D+01
      3  -0.506074D+01 -0.441068D+01  0.450802D+01  0.147200D+02 -0.608670D+01
      4   0.662018D+01  0.683013D+01 -0.873690D+00  0.129116D+02 -0.455066D+01
      5  -0.129503D+02  0.111857D+01 -0.842917D+01 -0.683686D+01 -0.363041D+00
      6   0.479910D+00  0.287068D+01 -0.491543D+01 -0.262361D+01  0.194490D+01
                51            52            53            54            55 
      1  -0.205040D+02  0.243767D+02 -0.566291D+01  0.466184D+00 -0.569673D+02
      2  -0.188162D+00 -0.654887D+01 -0.116905D+01  0.762673D+00  0.206131D+02
      3   0.206922D+02 -0.178279D+02  0.683196D+01 -0.122886D+01  0.363542D+02
      4   0.346588D+00  0.309409D+01 -0.118092D+01  0.523258D+01  0.652210D+01
      5   0.559540D+00  0.472229D+01  0.495591D+01 -0.649419D+01  0.288893D+01
      6   0.432557D+01  0.850146D+01  0.289990D+01  0.147656D+02 -0.135614D-01
                56            57            58            59            60 
      1   0.991255D+01  0.287916D+01  0.404440D+02 -0.916673D+01 -0.486818D+01
      2  -0.726639D+01  0.430591D+00 -0.309715D+02 -0.129583D+02  0.716183D+00
      3  -0.264615D+01 -0.330975D+01 -0.947245D+01  0.221250D+02  0.415200D+01
      4  -0.157957D+02 -0.201411D+01 -0.335110D+02 -0.429357D+02  0.155978D+01
      5  -0.189046D+01 -0.669395D+01 -0.485275D+01  0.289865D+01  0.558190D+01
      6  -0.189159D+01 -0.108031D+01 -0.366616D+01 -0.142466D+01  0.156203D+01
                61            62            63            64            65 
      1   0.376641D+02 -0.733078D+01 -0.146547D+00 -0.164613D+02 -0.334019D+02
      2  -0.101100D+02  0.512378D+01  0.133708D+02  0.141876D+02  0.138007D+02
      3  -0.275541D+02  0.220700D+01 -0.132242D+02  0.227374D+01  0.196012D+02
      4  -0.667562D+01  0.107722D+02  0.191144D+01 -0.369107D+02  0.156833D+02
      5  -0.191122D+02  0.202836D+01 -0.424009D+02 -0.112632D+02  0.357818D+01
      6  -0.185610D+01  0.645480D-01 -0.593337D+01  0.238193D+01  0.179215D+01
                66            67            68            69            70 
      1  -0.842364D+01 -0.734331D+02  0.276374D+02 -0.353962D+00 -0.408695D+02
      2   0.617973D+01  0.379316D+02 -0.154639D+02  0.270859D+00  0.162373D+02
      3   0.224391D+01  0.355015D+02 -0.121736D+02  0.831034D-01  0.246323D+02
      4   0.341107D+01  0.274672D+02  0.368818D+02 -0.412423D+01  0.462119D+01
      5   0.162954D+02  0.532426D+01 -0.520813D+01 -0.131126D+02  0.341613D+02
      6  -0.535416D+00 -0.135920D+01  0.281248D+01 -0.528217D+00 -0.168409D+01
                71            72            73            74            75 
      1   0.127028D+01  0.276046D+02  0.223974D+02  0.412553D+02  0.243651D+02
      2  -0.132074D+01 -0.767775D+01 -0.975383D+01 -0.236194D+02 -0.110084D+02
      3   0.504629D-01 -0.199268D+02 -0.126436D+02 -0.176358D+02 -0.133567D+02
      4  -0.901163D+01 -0.144981D+02  0.421347D+02 -0.206651D+02 -0.806843D+01
      5  -0.138500D+02  0.637425D+02  0.273815D+02 -0.886992D+01 -0.318163D+02
      6   0.583574D+01  0.403232D+00 -0.160784D+00  0.122975D+01 -0.242049D+00
                76            77            78            79            80 
      1   0.584636D+02 -0.298008D+02 -0.125646D+02  0.398944D+02 -0.108554D+02
      2  -0.352221D+02  0.644310D+01  0.783410D+01 -0.161791D+02  0.752995D+01
      3  -0.232414D+02  0.233577D+02  0.473049D+01 -0.237153D+02  0.332542D+01
      4  -0.382355D+02 -0.621243D+02  0.236884D+02 -0.982087D+01  0.237578D+02
      5  -0.122745D+02  0.261835D+02  0.176792D+02 -0.524930D+02  0.148215D+02
      6   0.383562D+01  0.374002D+01 -0.546998D+00  0.459536D+00 -0.141297D+01
                81            82            83            84            85 
      1  -0.417569D+02  0.392631D+02  0.290754D+02  0.203458D+02  0.349159D+02
      2   0.279301D+02 -0.302218D+02 -0.925684D+01 -0.787626D+01 -0.128132D+02
      3   0.138268D+02 -0.904124D+01 -0.198185D+02 -0.124695D+02 -0.221027D+02
      4   0.150779D+02  0.267275D+02 -0.253585D+02 -0.140732D+02 -0.310023D+02
      5  -0.559553D+02  0.204413D+02 -0.102018D+02 -0.149771D+02 -0.953850D+01
      6  -0.281472D+01 -0.132318D+02  0.348369D+01  0.845776D+01  0.525726D+01
                86            87            88            89            90 
      1  -0.270795D+02 -0.373453D+01  0.274922D+02 -0.749554D+01 -0.100321D+02
      2   0.206824D+02 -0.371460D+01 -0.779127D+01 -0.244495D+01  0.416913D+01
      3   0.639706D+01  0.744913D+01 -0.197010D+02  0.994049D+01  0.586294D+01
      4  -0.917866D+01  0.118066D+02 -0.149447D+02  0.196870D+02  0.309112D+02
      5   0.113363D+02  0.194821D+02 -0.250918D+02  0.266002D+02 -0.384974D+02
      6  -0.967911D+01 -0.898848D+01  0.119605D+02 -0.133507D+02  0.174632D+02
                91            92            93            94            95 
      1   0.376602D+01  0.156396D+02  0.847959D+01  0.177975D+02 -0.253525D+01
      2  -0.217416D+01 -0.118086D+02 -0.123416D+01 -0.185936D+02 -0.274703D+01
      3  -0.159186D+01 -0.383096D+01 -0.724543D+01  0.796141D+00  0.528228D+01
      4   0.117268D+02 -0.735578D+01 -0.227284D+01 -0.317268D+02 -0.176988D+02
      5   0.509619D+01 -0.235242D+01 -0.559606D+01 -0.172478D+02 -0.146317D+02
      6  -0.960378D-01 -0.480009D+01 -0.178766D+01 -0.103572D+02 -0.869983D+01
                96            97            98            99           100 
      1  -0.717543D+01  0.207122D+02 -0.836612D+01 -0.827432D+01 -0.737101D+01
      2  -0.584787D+01 -0.754962D+01 -0.478631D+01  0.121919D+02  0.364346D+01
      3   0.130233D+02 -0.131626D+02  0.131524D+02 -0.391758D+01  0.372755D+01
      4  -0.141561D+02 -0.148094D+02 -0.619447D+01  0.197394D+02 -0.851000D+01
      5   0.146457D+02 -0.190008D+02  0.199979D+02 -0.162123D+02  0.125587D+02
      6  -0.841361D+01  0.199905D+01 -0.116417D+01  0.621988D+01  0.290645D+01
               101           102           103           104           105 
      1  -0.103167D+02  0.223390D+01 -0.228452D+02  0.380391D+01  0.243572D+02
      2   0.114986D+02 -0.675888D+01  0.234956D+02 -0.126976D+02 -0.215616D+02
      3  -0.118184D+01  0.452498D+01 -0.650450D+00  0.889373D+01 -0.279562D+01
      4  -0.745400D+01  0.120513D+02 -0.540989D+01  0.838630D+01 -0.601186D+01
      5   0.123873D+02 -0.244813D+01  0.402366D+02 -0.609694D+01 -0.300519D+02
      6   0.407475D+01 -0.145223D+01 -0.399349D+01  0.550473D+01 -0.422581D-01
               106           107           108           109           110 
      1   0.268242D+02  0.137508D+02 -0.359806D+01  0.487685D+02  0.160460D+02
      2  -0.180058D+02 -0.825776D+01  0.108148D+02 -0.305332D+02 -0.968405D+01
      3  -0.881835D+01 -0.549301D+01 -0.721670D+01 -0.182354D+02 -0.636193D+01
      4   0.187675D+02  0.175002D+02 -0.207510D+02  0.203595D+02  0.212499D+02
      5  -0.130399D+02 -0.202962D+02  0.291959D+02 -0.358821D+02 -0.110582D+02
      6  -0.416979D+01 -0.478808D+01  0.377908D+01 -0.462846D+01 -0.456482D+01
               111           112           113           114           115 
      1  -0.245811D+02  0.341083D+02  0.597575D+01 -0.117257D+02 -0.433394D+02
      2   0.178421D+02 -0.201738D+02 -0.143180D+01  0.125831D+02  0.295424D+02
      3   0.673893D+01 -0.139344D+02 -0.454394D+01 -0.857312D+00  0.137970D+02
      4  -0.853948D+01  0.213573D+02  0.343287D+02 -0.145744D+02 -0.100509D+02
      5   0.234260D+02 -0.244638D+02 -0.150045D+02  0.268810D+02  0.447296D+02
      6   0.370460D+01 -0.462279D+01 -0.858148D+01  0.105840D+02  0.123103D+01
               116           117           118           119           120 
      1  -0.303474D+01  0.108556D+02  0.178724D+01 -0.632317D+01  0.161558D+02
      2   0.661781D+01 -0.302126D+02  0.178653D+01  0.161388D+01 -0.677952D+01
      3  -0.358307D+01  0.193569D+02 -0.357377D+01  0.470929D+01 -0.937626D+01
      4  -0.302993D+02  0.201424D+02  0.363327D+00 -0.466103D+01 -0.192005D+02
      5   0.196244D+02 -0.642423D+02  0.223558D+02 -0.155600D+02 -0.919302D+01
      6   0.131068D+02 -0.863333D+01 -0.899481D+01  0.760887D+01  0.486727D+01
               121           122           123           124           125 
      1  -0.810252D+01 -0.145425D+02 -0.158899D+02  0.316084D+02 -0.209825D+02
      2  -0.346695D+01  0.325388D+02  0.793551D+01 -0.112830D+02  0.463378D+01
      3   0.115695D+02 -0.179963D+02  0.795435D+01 -0.203254D+02  0.163487D+02
      4   0.151127D+02 -0.389207D+02  0.173667D+02 -0.358410D+02  0.331335D+02
      5  -0.213167D+02  0.191642D+02  0.632623D+01 -0.115263D+02  0.667042D+01
      6   0.752106D+01 -0.312876D+01  0.388440D+01  0.757623D+01  0.142194D+01
               126           127           128           129           130 
      1  -0.118773D+02  0.228591D+01 -0.407442D+01  0.216059D+01 -0.186031D+00
      2   0.551557D+01  0.338722D+00  0.565194D+01 -0.712450D+00  0.965134D+00
      3   0.636172D+01 -0.262463D+01 -0.157752D+01 -0.144814D+01 -0.779104D+00
      4   0.883201D+01  0.107745D+02  0.969030D+01 -0.697444D+01  0.882275D+01
      5   0.256669D+02 -0.126754D+02 -0.798372D+01  0.103784D+02 -0.104080D+02
      6  -0.101204D+02 -0.839180D+01 -0.775724D+01  0.784905D+01 -0.808532D+01
               131           132           133           134           135 
      1  -0.873610D+01  0.801762D+01  0.417960D+01  0.108853D+02 -0.131017D+02
      2   0.831871D+01 -0.280585D+01 -0.882104D+00 -0.719650D+01  0.192188D+01
      3   0.417393D+00 -0.521177D+01 -0.329749D+01 -0.368876D+01  0.111798D+02
      4   0.106266D+02 -0.726160D+01 -0.769155D+01 -0.785245D+01  0.797204D+01
      5  -0.879479D+01  0.104504D+02  0.110179D+02  0.910273D+01 -0.144513D+02
      6  -0.120110D+02  0.117721D+02  0.888050D+01  0.138132D+02 -0.154933D+02
               136           137           138           139           140 
      1  -0.272073D+01  0.211472D+01 -0.609977D+01  0.358218D+01 -0.775506D+01
      2  -0.341422D+01  0.938830D-01 -0.404313D+01  0.221185D+00  0.234204D+01
      3   0.613495D+01 -0.220861D+01  0.101429D+02 -0.380336D+01  0.541302D+01
      4  -0.482284D+01  0.405868D+01 -0.536477D+01  0.322194D+01 -0.362178D+01
      5   0.911631D+01 -0.376767D+01  0.113942D+02 -0.393991D+01  0.308042D+01
      6  -0.483072D+01  0.356979D+01 -0.522262D+01  0.363178D+01 -0.817355D+01
               141           142           143           144           145 
      1   0.127585D+02 -0.722238D+01  0.123639D+02 -0.279984D+02  0.470236D+01
      2   0.711009D+00 -0.219033D+01 -0.255262D+01 -0.625384D+01 -0.250661D+01
      3  -0.134695D+02  0.941270D+01 -0.981126D+01  0.342522D+02 -0.219575D+01
      4   0.414690D+01 -0.626846D+01  0.669861D+01 -0.947957D+01  0.492461D+01
      5  -0.464275D+01  0.107970D+02 -0.578742D+01  0.157795D+02 -0.967302D+01
      6   0.111353D+02 -0.767067D+01  0.134220D+02 -0.207234D+02 -0.331333D+01
               146           147           148           149           150 
      1  -0.179599D+01  0.141531D+01 -0.177369D+01 -0.558247D+01  0.625089D+01
      2   0.205026D+01  0.100704D+01  0.237449D+00  0.397941D+01 -0.372705D+00
      3  -0.254268D+00 -0.242235D+01  0.153624D+01  0.160306D+01 -0.587818D+01
      4   0.512282D+01 -0.277404D+01  0.488476D+01  0.567819D+01 -0.317230D+01
      5  -0.388195D+01  0.755238D+01 -0.663485D+01 -0.551955D+01  0.776441D+01
      6  -0.325623D+01  0.375952D+01 -0.391661D+01 -0.665611D+01  0.674259D+01
               151           152           153           154           155 
      1   0.282184D+01  0.679356D+01 -0.103428D+02 -0.603446D+00  0.270673D+00
      2   0.103953D+01 -0.316815D+01 -0.135033D+01 -0.427864D+01  0.117770D+01
      3  -0.386137D+01 -0.362541D+01  0.116932D+02  0.488209D+01 -0.144837D+01
      4  -0.424454D+01 -0.439693D+01  0.376626D+01 -0.342436D+01  0.300700D+01
      5   0.947237D+01  0.554248D+01 -0.116357D+02  0.757314D+01 -0.290271D+01
      6   0.517116D+01  0.802040D+01 -0.932218D+01 -0.186787D+01  0.211080D+01
               156           157           158           159           160 
      1  -0.410382D+01  0.275273D+01 -0.571426D+01  0.101728D+02 -0.244503D+01
      2  -0.494269D+01  0.974599D-01  0.848961D+00  0.211992D+01 -0.528377D+01
      3   0.904651D+01 -0.285019D+01  0.486530D+01 -0.122927D+02  0.772880D+01
      4  -0.329911D+01  0.244737D+01 -0.260335D+01  0.332007D+01 -0.500049D+01
      5   0.102083D+02 -0.298765D+01  0.292617D+01 -0.384450D+01  0.106716D+02
      6  -0.143697D+01  0.240676D+01 -0.500150D+01  0.633954D+01 -0.378544D+01
               161           162           163           164           165 
      1   0.711528D+01 -0.230676D+02  0.154830D+02  0.648488D+01 -0.203263D+01
      2   0.299447D+00 -0.101697D+02 -0.180171D+01  0.481345D+00  0.747978D+00
      3  -0.741473D+01  0.332373D+02 -0.136812D+02 -0.696623D+01  0.128465D+01
      4   0.523917D+01 -0.690905D+01  0.141025D+02  0.184246D+02  0.191900D+01
      5  -0.452305D+01  0.159333D+02 -0.141055D+01  0.237228D+01  0.375041D+01
      6   0.832849D+01 -0.109359D+02  0.839783D+00  0.162450D+01  0.891206D+00
               166           167           168           169           170 
      1   0.141033D+02 -0.110972D+02 -0.254801D+00 -0.163496D+02  0.562899D+00
      2   0.329861D+01  0.328915D+02  0.476607D+00  0.496467D+01 -0.330242D+01
      3  -0.174020D+02 -0.217943D+02 -0.221806D+00  0.113850D+02  0.273952D+01
      4   0.296559D+02  0.565092D+02  0.311114D+01 -0.395626D+01 -0.813390D+01
      5   0.356739D+01  0.189240D+01  0.585692D+01  0.505913D+01  0.552667D+01
      6   0.318503D+01  0.702912D+01  0.580756D+01  0.174552D+01  0.532100D+01
               171           172           173           174           175 
      1  -0.187548D+01  0.695602D+01 -0.212792D+01  0.558743D+01 -0.114150D+02
      2   0.104470D+01 -0.763771D+01  0.127949D+01 -0.553255D+01  0.691813D+01
      3   0.830785D+00  0.681687D+00  0.848431D+00 -0.548808D-01  0.449689D+01
      4   0.559122D+01 -0.107421D+01  0.488568D+01  0.244241D+01  0.460303D+01
      5   0.169215D+01  0.107706D+02  0.173642D+01  0.142325D+02 -0.267707D+01
      6  -0.631744D-01  0.811660D+00  0.130639D+01  0.142810D+01  0.815532D+00
               176           177           178           179           180 
      1  -0.842895D+00 -0.457877D+00  0.131376D+02 -0.254969D+01 -0.124668D+02
      2   0.103872D+01  0.239724D+01 -0.127196D+02  0.844181D+00 -0.152443D+02
      3  -0.195823D+00 -0.193937D+01 -0.418019D+00  0.170550D+01  0.277110D+02
      4   0.241899D+01  0.428339D+01  0.336009D+01  0.780101D+01  0.523243D+01
      5   0.441731D+01 -0.669068D+01  0.190445D+02  0.504211D+01  0.455317D+02
      6   0.248027D+00  0.387764D+01  0.363289D+01  0.612271D+01  0.108061D+02
               181           182           183           184           185 
      1  -0.375275D+01  0.675295D+01 -0.872878D+01  0.143315D+02 -0.781629D+01
      2  -0.142217D+01 -0.264318D+01  0.265255D+01 -0.708345D+01  0.374939D+01
      3   0.517492D+01 -0.410977D+01  0.607624D+01 -0.724800D+01  0.406690D+01
      4   0.729595D+01 -0.186337D+01 -0.710361D+00  0.136388D+00 -0.780738D+00
      5  -0.632326D+01 -0.668343D+00 -0.655568D+00  0.712843D+00 -0.637235D+01
      6  -0.201109D+00  0.237381D-01 -0.100466D+00  0.508696D+00 -0.208076D+01
               186           187           188           189           190 
      1   0.186432D+01 -0.200364D+02  0.824228D-01 -0.204579D+02  0.134592D+02
      2   0.137982D+00  0.963238D+01  0.251794D+01 -0.893618D+01 -0.405429D+01
      3  -0.200231D+01  0.104041D+02 -0.260036D+01  0.293940D+02 -0.940493D+01
      4  -0.602123D+01 -0.724861D+00 -0.988204D+01  0.679797D+01  0.145616D+02
      5   0.687385D+01  0.170606D+01  0.670600D+01 -0.547385D+02 -0.542443D+01
      6   0.702340D+01 -0.219976D+00  0.390467D+01 -0.174161D+01 -0.119827D+01
               191           192           193           194           195 
      1   0.132242D+02 -0.520898D+01  0.371154D+02  0.210986D+02 -0.135146D+01
      2  -0.433929D+01  0.233117D+01 -0.130527D+02  0.681218D+01 -0.620602D+00
      3  -0.888492D+01  0.287781D+01 -0.240627D+02 -0.279108D+02  0.197206D+01
      4   0.198750D+02 -0.231260D+01  0.438030D+02  0.886588D+02 -0.126463D+02
      5  -0.232575D+01  0.658347D+01 -0.534796D+01 -0.141354D+02  0.148560D+02
      6  -0.513848D+00  0.530962D+00 -0.239977D+01 -0.449135D+01  0.615173D+01
               196           197           198           199           200 
      1  -0.126452D+02 -0.181282D+01  0.771506D+01  0.222502D+02 -0.390272D+01
      2   0.577772D+01 -0.801945D+00 -0.429217D+01 -0.142505D+02  0.249411D+01
      3   0.686751D+01  0.261477D+01 -0.342290D+01 -0.799973D+01  0.140861D+01
      4  -0.638085D+01 -0.166724D+02  0.956599D+01 -0.331268D+01  0.614289D+01
      5   0.139015D+02  0.103633D+02 -0.303549D+01  0.156768D+02  0.187926D+00
      6   0.224957D+01  0.603258D+01 -0.262887D+01  0.413818D+00 -0.101068D-01
               201           202           203           204           205 
      1   0.143885D+02 -0.130077D+02  0.641731D+01 -0.135545D+01  0.445351D+02
      2  -0.904344D+01  0.774930D+01 -0.269707D+01  0.150649D+01 -0.280606D+02
      3  -0.534505D+01  0.525840D+01 -0.372024D+01 -0.151036D+00 -0.164745D+02
      4   0.420984D+00  0.115723D+02  0.271365D+01  0.657169D+01  0.274080D+01
      5   0.218250D+02 -0.353450D+01  0.606406D+01 -0.886457D+01  0.439781D+02
      6   0.109901D+01  0.155823D+01 -0.115806D+01  0.385962D+01  0.105042D+01
               206           207           208           209           210 
      1   0.272412D+01  0.257202D+02  0.938672D+02 -0.246651D+02 -0.287860D+02
      2  -0.102387D+01 -0.264625D+02 -0.491010D+02  0.127982D+02  0.159151D+02
      3  -0.170025D+01  0.742378D+00 -0.447662D+02  0.118669D+02  0.128709D+02
      4   0.146704D+02 -0.316513D+01 -0.253041D+02  0.211345D+02  0.924913D+01
      5  -0.227679D+01  0.761997D+02 -0.328877D+02  0.996639D+01  0.259063D+02
      6   0.449549D+01  0.319572D+01  0.141737D+01 -0.742140D+00 -0.181810D+00
               211           212           213           214           215 
      1  -0.592263D+02  0.219282D+02  0.136382D+02 -0.568490D+02  0.106751D+02
      2   0.303366D+02 -0.852344D+01 -0.777684D+01  0.313393D+02 -0.645172D+01
      3   0.288897D+02 -0.134048D+02 -0.586137D+01  0.255097D+02 -0.422342D+01
      4   0.297824D+02 -0.181431D+02 -0.133082D+02  0.129972D+02 -0.179676D+02
      5   0.180991D+02 -0.136903D+02 -0.180354D+02  0.377547D+02 -0.119295D+02
      6  -0.250188D+01  0.220905D+01  0.252576D+01 -0.165452D+01  0.300962D+01
               216           217           218           219           220 
      1   0.271295D+02  0.323337D+02 -0.172780D+02 -0.117586D+02 -0.165506D+02
      2  -0.185951D+02 -0.803791D+01 -0.177293D+01  0.369355D+01 -0.142281D+01
      3  -0.853441D+01 -0.242958D+02  0.190509D+02  0.806500D+01  0.179734D+02
      4  -0.114172D+02 -0.386993D+02  0.381085D+02  0.145249D+02  0.348236D+02
      5  -0.232421D+02 -0.178754D+02  0.116874D+02  0.159973D+02  0.110582D+02
      6   0.224385D+01  0.880680D+01 -0.714619D+01 -0.861146D+01 -0.723403D+01
               221           222           223           224           225 
      1   0.885911D+01  0.314398D+01 -0.202280D+02  0.513818D+01  0.702927D+01
      2   0.113805D+02  0.361713D+01  0.687715D+01  0.507516D+01 -0.263145D+01
      3  -0.202396D+02 -0.676111D+01  0.133509D+02 -0.102133D+02 -0.439781D+01
      4  -0.412781D+02 -0.163384D+02  0.236319D+02 -0.284173D+02 -0.203607D+02
      5  -0.151496D+02 -0.130512D+02  0.196467D+02 -0.180312D+02 -0.165271D+02
      6   0.107618D+02  0.966101D+01 -0.985751D+01  0.118686D+02  0.951927D+01
               226           227           228           229           230 
      1   0.284208D+01 -0.544541D+01  0.580428D+01 -0.322566D+01 -0.156216D+01
      2  -0.106244D+01  0.109629D+01 -0.384377D+01 -0.206376D+00  0.351120D+01
      3  -0.177964D+01  0.434912D+01 -0.196051D+01  0.343204D+01 -0.194904D+01
      4  -0.866313D+01  0.981042D+01 -0.426673D+01  0.790703D+01 -0.992475D+01
      5   0.783510D+01 -0.294166D+01  0.119811D+02 -0.133175D+01  0.736709D+01
      6  -0.252339D+01  0.135589D+01 -0.427009D+01  0.181175D+01 -0.518286D+01
               231           232           233           234           235 
      1   0.331348D+01  0.133577D+02  0.593784D+01 -0.430633D+01 -0.550722D+02
      2  -0.385235D+01 -0.739371D+01 -0.738592D+01 -0.492469D+01  0.310968D+02
      3   0.538870D+00 -0.596403D+01  0.144808D+01  0.923103D+01  0.239754D+02
      4   0.764567D+01 -0.108827D+02  0.213588D+02 -0.214362D+02  0.884827D+01
      5  -0.840044D+01  0.165091D+02 -0.188460D+02  0.490748D+02 -0.499954D+01
      6   0.101545D+02 -0.705631D+01  0.140077D+02 -0.258160D+02  0.441000D+01
               236           237           238           239           240 
      1  -0.206210D+02 -0.964300D+01 -0.146325D+02 -0.139168D+02 -0.304316D+01
      2   0.185835D+02  0.531496D+01  0.123548D+02  0.133731D+02  0.304218D+01
      3   0.203752D+01  0.432804D+01  0.227766D+01  0.543709D+00  0.975296D-03
      4  -0.897452D+01  0.172569D+01  0.177922D+01 -0.293074D+01 -0.156008D+01
      5  -0.823987D+00 -0.310077D+01 -0.741300D+00 -0.228378D+01 -0.317744D+01
      6   0.239352D+01  0.436142D+01  0.132182D+01  0.211285D+01  0.380291D+01
               241           242           243           244           245 
      1  -0.100902D+02 -0.468853D+01 -0.652809D+01  0.185281D+01 -0.562980D+01
      2   0.477416D+01  0.426984D+01  0.310469D+01 -0.575661D+01  0.406039D+01
      3   0.531606D+01  0.418692D+00  0.342340D+01  0.390380D+01  0.156941D+01
      4   0.198642D+01 -0.443565D+01 -0.466625D+01 -0.681623D+01  0.548618D+01
      5   0.136498D+01 -0.540506D+01  0.117440D+01  0.108804D+02 -0.283385D+01
      6   0.189498D+01  0.489056D+01  0.682432D+00 -0.353575D+01  0.127027D+01
               246           247           248           249           250 
      1   0.470287D+01 -0.898887D+01 -0.115453D+01  0.405409D+01  0.587565D+01
      2  -0.514416D+01  0.591563D+01 -0.150146D+01  0.313222D+01 -0.793490D+01
      3   0.441290D+00  0.307324D+01  0.265599D+01 -0.718632D+01  0.205925D+01
      4  -0.239339D+01  0.826046D+01 -0.941605D+01  0.925550D+01 -0.276883D+01
      5   0.121289D+02 -0.431746D+01  0.969896D+01 -0.142185D+02  0.177513D+02
      6  -0.109150D+01  0.286587D+01 -0.598584D+01  0.773885D+01 -0.184326D+01
               251           252           253           254           255 
      1   0.159449D+01 -0.605542D+01 -0.399251D+02 -0.334414D+02 -0.334641D+02
      2   0.502266D+01 -0.149411D+02  0.206100D+02  0.189045D+02  0.122707D+02
      3  -0.661715D+01  0.209965D+02  0.193150D+02  0.145369D+02  0.211934D+02
      4   0.120343D+02 -0.105008D+02 -0.435581D+02 -0.581623D+01 -0.115924D+02
      5  -0.103771D+02  0.355061D+02 -0.397045D+02 -0.764241D+01  0.190682D+01
      6   0.724618D+01 -0.634562D+01 -0.197202D+02  0.254093D+01  0.927781D+01
               256           257           258           259           260 
      1  -0.188383D+02 -0.123569D+01 -0.115515D+01 -0.317662D+02  0.620043D-01
      2   0.188275D+02  0.108348D+02  0.140156D+02  0.125012D+02  0.128305D+02
      3   0.107337D-01 -0.959909D+01 -0.128604D+02  0.192650D+02 -0.128925D+02
      4   0.114782D+02  0.220800D+02  0.136574D+02 -0.795912D+01  0.101307D+02
      5  -0.385304D+00  0.143664D+02 -0.110434D+02  0.523377D+01 -0.162829D+02
      6   0.869629D+01  0.118556D+02 -0.688194D+01  0.788966D+01 -0.135507D+02
               261           262           263           264           265 
      1   0.228305D+02  0.338233D+02 -0.194706D+02 -0.146199D+02 -0.112685D+02
      2  -0.202749D+02 -0.139375D+02  0.612370D+01  0.656127D+01  0.133761D+01
      3  -0.255555D+01 -0.198858D+02  0.133469D+02  0.805859D+01  0.993094D+01
      4  -0.993870D+01 -0.325356D+02  0.273688D+02  0.145805D+02  0.214156D+02
      5   0.650223D+01 -0.201867D+02  0.131107D+02  0.166473D+02  0.924135D+01
      6  -0.384358D+01  0.846399D+01 -0.628759D+01 -0.586223D+01 -0.489231D+01
               266           267           268           269           270 
      1   0.743271D+01  0.365279D+01 -0.260672D+02  0.145902D+02  0.140862D+02
      2   0.335664D+01  0.338081D+00  0.123721D+02 -0.404542D+01 -0.827740D+01
      3  -0.107893D+02 -0.399087D+01  0.136951D+02 -0.105448D+02 -0.580885D+01
      4  -0.283275D+02 -0.113109D+02  0.318075D+02 -0.328249D+02 -0.247140D+02
      5  -0.101799D+02 -0.103793D+02  0.287446D+02 -0.226851D+02 -0.281388D+02
      6   0.722984D+01  0.588462D+01 -0.119554D+02  0.124969D+02  0.129286D+02
               271           272           273           274           275 
      1  -0.124292D+02  0.179964D+02  0.202708D+02  0.810036D+01 -0.150466D+02
      2   0.499587D+01 -0.129255D+02 -0.667578D+01 -0.582681D+01  0.119624D+02
      3   0.743332D+01 -0.507090D+01 -0.135950D+02 -0.227355D+01  0.308414D+01
      4  -0.115796D+01 -0.415341D+01  0.500420D+00  0.207723D+01  0.334195D+01
      5   0.301555D+01 -0.306036D+01 -0.552693D+01  0.370548D+00  0.315560D+01
      6   0.812294D+01 -0.109886D+02 -0.133552D+02 -0.455214D+01  0.111500D+02
               276           277           278           279           280 
      1  -0.109941D+02  0.167121D+02 -0.171319D+02 -0.275314D+02  0.168763D+01
      2   0.631294D+01 -0.622309D+01  0.919190D+01  0.584297D+01  0.944414D+00
      3   0.468119D+01 -0.104890D+02  0.793999D+01  0.216884D+02 -0.263204D+01
      4   0.258319D+01  0.596255D+01  0.796956D+01  0.644074D+01  0.466988D+01
      5   0.593982D+01  0.181303D+01  0.109620D+02  0.157184D+02  0.204171D+00
      6   0.125234D+02 -0.553383D+01  0.180185D+02  0.224661D+02 -0.825279D+00
               281           282           283           284           285 
      1   0.841593D+01 -0.412606D+00  0.653471D+01 -0.114876D+02  0.450774D+01
      2  -0.719317D+01  0.139938D+01 -0.316665D+01  0.217032D+02 -0.118368D+02
      3  -0.122277D+01 -0.986776D+00 -0.336806D+01 -0.102156D+02  0.732909D+01
      4   0.102317D+01 -0.351967D-01  0.598517D+01  0.152442D+02 -0.787882D+01
      5   0.162863D+01 -0.944159D+00  0.790629D+00 -0.970383D+01  0.106636D+02
      6  -0.215755D-01 -0.280000D+01 -0.294633D+00 -0.660214D+01  0.958063D+01
               286           287           288           289           290 
      1  -0.651437D+01  0.959890D+01 -0.836958D+01  0.764128D+02  0.186057D+02
      2   0.227279D+01 -0.202713D+02  0.121256D+02 -0.349175D+02 -0.178948D+01
      3   0.424159D+01  0.106724D+02 -0.375600D+01 -0.414953D+02 -0.168163D+02
      4  -0.728517D+01 -0.196895D+02  0.669911D+01  0.568204D+02  0.326006D+02
      5  -0.115953D+01  0.920389D+01 -0.177675D+02  0.424142D+02  0.153024D+02
      6  -0.204159D+01  0.772724D+01 -0.128294D+02  0.167604D+02  0.103713D+02
               291           292           293           294           295 
      1   0.170591D+02  0.931503D+01  0.750958D+01  0.157768D+01  0.154951D+02
      2  -0.106682D+02  0.689433D+00  0.873267D+00 -0.516588D+00 -0.102093D+02
      3  -0.639091D+01 -0.100045D+02 -0.838285D+01 -0.106109D+01 -0.528581D+01
      4   0.165483D+02  0.211318D+02  0.141434D+02  0.505488D+01  0.143391D+02
      5   0.226308D+02  0.711778D+01  0.600304D+01  0.515687D+01  0.214925D+02
      6   0.981551D+01  0.603448D+01  0.429679D+01  0.529493D+01  0.807846D+01
               296           297 
      1   0.243352D+01  0.616380D+01
      2  -0.154103D+01 -0.481444D+01
      3  -0.892491D+00 -0.134936D+01
      4   0.786969D+01  0.105200D+02
      5   0.971095D+01  0.140966D+02
      6   0.736010D+01  0.693667D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 21:07:10 2021, MaxMem=  6442450944 cpu:           60890.4 elap:            7635.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94215 -18.88744 -10.14057 -10.03566 -10.02746
 Alpha  occ. eigenvalues --  -10.02138 -10.01547 -10.01516 -10.01276 -10.01268
 Alpha  occ. eigenvalues --  -10.01197 -10.00682 -10.00396  -9.99557  -9.99148
 Alpha  occ. eigenvalues --   -1.16162  -1.07248  -0.93281  -0.88887  -0.86427
 Alpha  occ. eigenvalues --   -0.81417  -0.81114  -0.75295  -0.74994  -0.73899
 Alpha  occ. eigenvalues --   -0.68577  -0.67240  -0.64324  -0.63118  -0.58980
 Alpha  occ. eigenvalues --   -0.57851  -0.55664  -0.55095  -0.53454  -0.52261
 Alpha  occ. eigenvalues --   -0.51737  -0.51526  -0.50214  -0.49064  -0.48674
 Alpha  occ. eigenvalues --   -0.48039  -0.46259  -0.45337  -0.44899  -0.44250
 Alpha  occ. eigenvalues --   -0.43468  -0.43039  -0.41748  -0.40601  -0.40264
 Alpha  occ. eigenvalues --   -0.40119  -0.39343  -0.38955  -0.35370  -0.33618
 Alpha  occ. eigenvalues --   -0.31711
 Alpha virt. eigenvalues --    0.02591   0.03105   0.03169   0.03772   0.03893
 Alpha virt. eigenvalues --    0.03926   0.04393   0.04707   0.05186   0.05777
 Alpha virt. eigenvalues --    0.06303   0.06371   0.06755   0.07017   0.07116
 Alpha virt. eigenvalues --    0.07852   0.08521   0.08852   0.09160   0.09606
 Alpha virt. eigenvalues --    0.10085   0.10731   0.11481   0.11762   0.12077
 Alpha virt. eigenvalues --    0.12446   0.12552   0.12931   0.13261   0.13597
 Alpha virt. eigenvalues --    0.13790   0.14318   0.14663   0.14788   0.14887
 Alpha virt. eigenvalues --    0.15345   0.15443   0.15805   0.16340   0.16677
 Alpha virt. eigenvalues --    0.16905   0.17275   0.17581   0.17777   0.18175
 Alpha virt. eigenvalues --    0.18584   0.18665   0.19001   0.19528   0.19758
 Alpha virt. eigenvalues --    0.20431   0.20478   0.21070   0.21231   0.21571
 Alpha virt. eigenvalues --    0.21854   0.22242   0.22715   0.23304   0.23428
 Alpha virt. eigenvalues --    0.23798   0.24431   0.24592   0.25214   0.25353
 Alpha virt. eigenvalues --    0.25473   0.26141   0.26883   0.27061   0.27469
 Alpha virt. eigenvalues --    0.27976   0.28128   0.28280   0.28529   0.28769
 Alpha virt. eigenvalues --    0.29159   0.29573   0.29577   0.29847   0.30284
 Alpha virt. eigenvalues --    0.30652   0.30778   0.31191   0.31786   0.32173
 Alpha virt. eigenvalues --    0.32685   0.33089   0.33437   0.33839   0.34045
 Alpha virt. eigenvalues --    0.34307   0.34709   0.35565   0.35703   0.35895
 Alpha virt. eigenvalues --    0.36682   0.37095   0.37703   0.38300   0.38610
 Alpha virt. eigenvalues --    0.38967   0.39535   0.40099   0.40170   0.40614
 Alpha virt. eigenvalues --    0.41014   0.41195   0.41326   0.41753   0.42515
 Alpha virt. eigenvalues --    0.42668   0.42990   0.43536   0.43626   0.44000
 Alpha virt. eigenvalues --    0.44075   0.44485   0.45073   0.45454   0.45995
 Alpha virt. eigenvalues --    0.46207   0.46622   0.47118   0.47527   0.48388
 Alpha virt. eigenvalues --    0.48552   0.48775   0.49058   0.50018   0.50503
 Alpha virt. eigenvalues --    0.50914   0.51356   0.51804   0.52501   0.52981
 Alpha virt. eigenvalues --    0.53265   0.53458   0.54155   0.54781   0.55366
 Alpha virt. eigenvalues --    0.55549   0.56193   0.56455   0.57126   0.57586
 Alpha virt. eigenvalues --    0.57970   0.58500   0.58939   0.59166   0.59407
 Alpha virt. eigenvalues --    0.60078   0.60335   0.61053   0.61271   0.61929
 Alpha virt. eigenvalues --    0.62233   0.62530   0.62754   0.63103   0.63814
 Alpha virt. eigenvalues --    0.64296   0.64378   0.65032   0.65392   0.65845
 Alpha virt. eigenvalues --    0.66151   0.66819   0.66908   0.67396   0.67950
 Alpha virt. eigenvalues --    0.68187   0.68457   0.69231   0.69744   0.70099
 Alpha virt. eigenvalues --    0.70371   0.70652   0.70746   0.71977   0.72269
 Alpha virt. eigenvalues --    0.72590   0.72692   0.73119   0.73462   0.73872
 Alpha virt. eigenvalues --    0.74329   0.74904   0.75878   0.76220   0.76590
 Alpha virt. eigenvalues --    0.76817   0.77033   0.77711   0.77921   0.78409
 Alpha virt. eigenvalues --    0.79530   0.79722   0.80623   0.80766   0.81326
 Alpha virt. eigenvalues --    0.81926   0.82533   0.83406   0.83636   0.83957
 Alpha virt. eigenvalues --    0.84131   0.84803   0.85128   0.85267   0.86084
 Alpha virt. eigenvalues --    0.86761   0.87680   0.88036   0.88351   0.88518
 Alpha virt. eigenvalues --    0.89396   0.89887   0.90235   0.90679   0.92437
 Alpha virt. eigenvalues --    0.92728   0.93132   0.93559   0.94196   0.94775
 Alpha virt. eigenvalues --    0.95088   0.95673   0.96430   0.97387   0.98637
 Alpha virt. eigenvalues --    1.00069   1.00757   1.01095   1.01983   1.02529
 Alpha virt. eigenvalues --    1.03671   1.04336   1.04821   1.05267   1.06654
 Alpha virt. eigenvalues --    1.07544   1.08162   1.09224   1.10170   1.11418
 Alpha virt. eigenvalues --    1.12050   1.12683   1.13722   1.13846   1.15100
 Alpha virt. eigenvalues --    1.15707   1.16765   1.17188   1.19101   1.19809
 Alpha virt. eigenvalues --    1.20508   1.22033   1.22905   1.23135   1.23305
 Alpha virt. eigenvalues --    1.24317   1.25215   1.26434   1.26984   1.28295
 Alpha virt. eigenvalues --    1.29706   1.31205   1.31858   1.33741   1.35200
 Alpha virt. eigenvalues --    1.36755   1.38792   1.38963   1.40487   1.41483
 Alpha virt. eigenvalues --    1.42527   1.42757   1.43574   1.43929   1.45326
 Alpha virt. eigenvalues --    1.46692   1.48621   1.49513   1.50531   1.51161
 Alpha virt. eigenvalues --    1.51608   1.52329   1.53037   1.53590   1.54322
 Alpha virt. eigenvalues --    1.54498   1.56359   1.56645   1.58226   1.58957
 Alpha virt. eigenvalues --    1.59925   1.60421   1.61198   1.62299   1.63239
 Alpha virt. eigenvalues --    1.63652   1.63934   1.65304   1.66261   1.67340
 Alpha virt. eigenvalues --    1.68186   1.68883   1.70046   1.70734   1.71386
 Alpha virt. eigenvalues --    1.72127   1.72857   1.74031   1.74410   1.75130
 Alpha virt. eigenvalues --    1.75899   1.76282   1.76891   1.77962   1.78341
 Alpha virt. eigenvalues --    1.78891   1.80193   1.80415   1.81064   1.82183
 Alpha virt. eigenvalues --    1.84234   1.84791   1.85248   1.86680   1.87612
 Alpha virt. eigenvalues --    1.88731   1.89140   1.89831   1.90728   1.92457
 Alpha virt. eigenvalues --    1.92781   1.93197   1.94322   1.94742   1.95376
 Alpha virt. eigenvalues --    1.96169   1.96934   1.97386   1.97793   1.98916
 Alpha virt. eigenvalues --    1.99326   2.00717   2.01837   2.03090   2.03171
 Alpha virt. eigenvalues --    2.04070   2.05250   2.05767   2.06709   2.07376
 Alpha virt. eigenvalues --    2.09118   2.09297   2.11169   2.11808   2.12083
 Alpha virt. eigenvalues --    2.13115   2.14250   2.15342   2.15962   2.16469
 Alpha virt. eigenvalues --    2.17806   2.18654   2.19138   2.19943   2.21434
 Alpha virt. eigenvalues --    2.21607   2.22881   2.23534   2.24568   2.26717
 Alpha virt. eigenvalues --    2.27021   2.27577   2.29141   2.30618   2.30768
 Alpha virt. eigenvalues --    2.32497   2.33431   2.34645   2.35812   2.35945
 Alpha virt. eigenvalues --    2.36625   2.38201   2.38767   2.40551   2.42270
 Alpha virt. eigenvalues --    2.43135   2.44437   2.45710   2.48343   2.49877
 Alpha virt. eigenvalues --    2.50768   2.52393   2.53044   2.53938   2.54808
 Alpha virt. eigenvalues --    2.57331   2.58394   2.60073   2.60517   2.62727
 Alpha virt. eigenvalues --    2.64671   2.65258   2.65649   2.66501   2.69341
 Alpha virt. eigenvalues --    2.72514   2.74255   2.74894   2.76025   2.77393
 Alpha virt. eigenvalues --    2.79915   2.81606   2.83700   2.85837   2.86501
 Alpha virt. eigenvalues --    2.88712   2.90861   2.92386   2.93764   2.94875
 Alpha virt. eigenvalues --    2.99097   3.06883   3.10628   3.12328   3.14391
 Alpha virt. eigenvalues --    3.17020   3.22952   3.31664   3.35737   3.38233
 Alpha virt. eigenvalues --    3.40208   3.45794   3.46019   3.48071   3.49340
 Alpha virt. eigenvalues --    3.53496   3.56171   3.61446   3.67576   3.72972
 Alpha virt. eigenvalues --    3.76387   3.86706   3.94098   4.04564   4.81264
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   31.772012  -4.960556  -6.719126  -1.778818  -6.190802  -4.209680
     2  C   -4.960556  28.465089  -1.830439  -8.187343   4.832394 -12.969398
     3  C   -6.719126  -1.830439  32.288947  -5.311972  -5.017814  -6.142109
     4  C   -1.778818  -8.187343  -5.311972  30.959072 -11.808507   4.313969
     5  C   -6.190802   4.832394  -5.017814 -11.808507  42.593144 -13.376249
     6  C   -4.209680 -12.969398  -6.142109   4.313969 -13.376249  41.342438
     7  C    0.061087  -1.727137  -0.617512  -0.521395  -0.373935  -1.379424
     8  C   -0.279426   0.435706  -0.108174  -0.102041  -0.148869  -0.233417
     9  C    0.066236   0.046312   0.115802   0.003498  -0.010464  -0.219112
    10  C   -0.225978  -0.287411  -0.253981   0.092505  -0.054231   0.599316
    11  C   -0.234487  -0.144734   0.214614  -5.192753  -0.594206   0.061021
    12  C   -0.235649   0.016912  -0.221780   0.800579  -0.878641   0.112947
    13  O    0.010564  -0.007632   0.007130  -0.065171   0.131006  -0.058482
    14  O    0.021529   0.011583   0.009289  -0.000645   0.101755  -0.051426
    15  H   -2.763129   0.119200   1.983961   0.170463  -0.086970  -0.258659
    16  H    1.584672   0.062771  -3.265206   0.643922   0.005163  -0.197374
    17  H    0.071679  -1.309812   0.466209   2.320309  -5.376556   2.019279
    18  H    0.555508   3.215198   0.160472  -1.499647   1.583051  -5.332649
    19  H    0.360276  -0.301550   0.211066   0.078114  -0.076657  -0.211003
    20  H   -0.697030  -0.678340  -0.283472   0.181810   0.262132   1.207192
    21  H    0.085037  -0.151482   0.059590   0.038181   0.069400   0.034989
    22  H    0.001625   0.191194   0.011936   0.014250  -0.008463   0.004330
    23  H    0.040451   0.053029   0.012278  -0.004027   0.019175  -0.046935
    24  H   -0.028243  -0.121016  -0.006373  -0.005590  -0.006064   0.011819
    25  H    0.010926   0.061122   0.005721  -0.007628   0.014113  -0.093997
    26  H   -0.038830  -0.057427  -0.017679   0.034816   0.031146   0.196437
    27  H    0.017099   0.043699   0.093207  -0.052339  -0.015553  -0.115881
    28  H   -0.113376   0.021468  -0.071670   0.684857  -0.043733  -0.042170
    29  C   -0.000306  -0.116767   0.234336  -0.721666  -0.590143   0.083630
    30  H   -0.002003  -0.000670  -0.004166   0.027958  -0.029451   0.008741
    31  H    0.041737  -0.052648   0.158121  -0.675330   0.047505   0.003435
    32  H    0.047546  -0.066675   0.145913  -0.021991  -0.391692  -0.019315
    33  H   -0.029220   0.047637  -0.233688   0.895029   0.142506  -0.013780
               7          8          9         10         11         12
     1  C    0.061087  -0.279426   0.066236  -0.225978  -0.234487  -0.235649
     2  C   -1.727137   0.435706   0.046312  -0.287411  -0.144734   0.016912
     3  C   -0.617512  -0.108174   0.115802  -0.253981   0.214614  -0.221780
     4  C   -0.521395  -0.102041   0.003498   0.092505  -5.192753   0.800579
     5  C   -0.373935  -0.148869  -0.010464  -0.054231  -0.594206  -0.878641
     6  C   -1.379424  -0.233417  -0.219112   0.599316   0.061021   0.112947
     7  C   12.252983  -0.944943   0.048829   0.258495  -0.320662  -0.018262
     8  C   -0.944943   9.391125  -0.113786  -0.428871   0.037370  -0.006009
     9  C    0.048829  -0.113786   5.135324  -0.312408  -0.002152   0.000346
    10  C    0.258495  -0.428871  -0.312408   4.905465  -0.024541   0.003675
    11  C   -0.320662   0.037370  -0.002152  -0.024541  15.466282  -2.681575
    12  C   -0.018262  -0.006009   0.000346   0.003675  -2.681575   8.494222
    13  O   -0.000962   0.000005   0.000012  -0.000005   0.124299  -0.120080
    14  O    0.001116   0.000050   0.000004  -0.000108   0.088214  -0.333491
    15  H   -0.479098   0.026441   0.040298  -0.043921   0.110603   0.006874
    16  H    0.139802  -0.020871  -0.001610   0.004584  -0.041674  -0.034620
    17  H    0.112869  -0.007597   0.000895   0.005570  -0.043374   0.153889
    18  H   -0.095205   0.071127   0.014779  -0.069657  -0.017026   0.004027
    19  H   -0.652867   0.097957  -0.057214   0.026542  -0.008862   0.000377
    20  H   -0.841888   0.070997  -0.111983   0.017598  -0.000597  -0.002631
    21  H   -0.009082  -1.584861  -0.141301   0.200108   0.003774  -0.000180
    22  H   -0.225248   0.211508   0.138983  -0.052189   0.001307   0.000123
    23  H   -0.021678  -0.218479   0.410408  -0.100495  -0.000229   0.000112
    24  H    0.089821   0.259546   0.032880   0.059077  -0.000505  -0.000097
    25  H    0.091163  -0.100412   0.088734   0.110795   0.000292   0.000423
    26  H   -0.315694   0.018079  -0.087397   0.200963  -0.000740   0.000127
    27  H   -0.057256   0.349112  -0.118886   0.150735  -0.003581  -0.000226
    28  H   -0.009803   0.002856  -0.000048  -0.000663  -1.666196   0.231143
    29  C   -0.063464   0.004576   0.000151  -0.002746   0.694652  -0.014978
    30  H   -0.000335   0.000061   0.000013   0.000031   0.031598  -0.070169
    31  H   -0.013592   0.002534   0.000254  -0.000442   0.649860  -0.100201
    32  H   -0.010102   0.001244  -0.000144   0.000138  -0.283594   0.053318
    33  H    0.001588  -0.000482  -0.000022   0.000014  -0.515637   0.013266
              13         14         15         16         17         18
     1  C    0.010564   0.021529  -2.763129   1.584672   0.071679   0.555508
     2  C   -0.007632   0.011583   0.119200   0.062771  -1.309812   3.215198
     3  C    0.007130   0.009289   1.983961  -3.265206   0.466209   0.160472
     4  C   -0.065171  -0.000645   0.170463   0.643922   2.320309  -1.499647
     5  C    0.131006   0.101755  -0.086970   0.005163  -5.376556   1.583051
     6  C   -0.058482  -0.051426  -0.258659  -0.197374   2.019279  -5.332649
     7  C   -0.000962   0.001116  -0.479098   0.139802   0.112869  -0.095205
     8  C    0.000005   0.000050   0.026441  -0.020871  -0.007597   0.071127
     9  C    0.000012   0.000004   0.040298  -0.001610   0.000895   0.014779
    10  C   -0.000005  -0.000108  -0.043921   0.004584   0.005570  -0.069657
    11  C    0.124299   0.088214   0.110603  -0.041674  -0.043374  -0.017026
    12  C   -0.120080  -0.333491   0.006874  -0.034620   0.153889   0.004027
    13  O    8.483269   0.008840  -0.000129   0.003946  -0.041094  -0.000411
    14  O    0.008840   8.380446   0.000081   0.011873  -0.018170  -0.001039
    15  H   -0.000129   0.000081   3.714532  -0.409298   0.009971  -0.037526
    16  H    0.003946   0.011873  -0.409298   3.716058  -0.041125   0.010555
    17  H   -0.041094  -0.018170   0.009971  -0.041125   4.291464  -0.439237
    18  H   -0.000411  -0.001039  -0.037526   0.010555  -0.439237   4.136107
    19  H    0.000015  -0.000237  -0.071164   0.014573  -0.004138   0.031214
    20  H   -0.000109   0.000230   0.019950  -0.006128   0.005469  -0.157408
    21  H   -0.000021   0.000016  -0.064974   0.003251   0.001658  -0.000287
    22  H   -0.000001   0.000002   0.016140  -0.000645   0.000066  -0.000607
    23  H    0.000001   0.000001   0.002250  -0.000122   0.000078   0.009580
    24  H    0.000002   0.000001  -0.004754   0.000263  -0.000025  -0.002267
    25  H   -0.000012  -0.000021   0.000804  -0.000525   0.000167   0.002308
    26  H    0.000023   0.000004  -0.007878   0.000778  -0.000601  -0.010609
    27  H   -0.000093   0.000158   0.007790   0.001620  -0.000867  -0.006680
    28  H   -0.002263  -0.037557   0.005001  -0.207697  -0.018494   0.001456
    29  C   -0.001537  -0.003365   0.005787   0.024813   0.024798   0.015782
    30  H   -0.038715   0.264137  -0.000030  -0.000746   0.002481   0.000057
    31  H    0.018082   0.006641   0.002985  -0.010473   0.013433  -0.002306
    32  H    0.011931  -0.011779  -0.002071   0.009765  -0.085420   0.006820
    33  H    0.004133   0.004012   0.000684   0.002072   0.015221  -0.001645
              19         20         21         22         23         24
     1  C    0.360276  -0.697030   0.085037   0.001625   0.040451  -0.028243
     2  C   -0.301550  -0.678340  -0.151482   0.191194   0.053029  -0.121016
     3  C    0.211066  -0.283472   0.059590   0.011936   0.012278  -0.006373
     4  C    0.078114   0.181810   0.038181   0.014250  -0.004027  -0.005590
     5  C   -0.076657   0.262132   0.069400  -0.008463   0.019175  -0.006064
     6  C   -0.211003   1.207192   0.034989   0.004330  -0.046935   0.011819
     7  C   -0.652867  -0.841888  -0.009082  -0.225248  -0.021678   0.089821
     8  C    0.097957   0.070997  -1.584861   0.211508  -0.218479   0.259546
     9  C   -0.057214  -0.111983  -0.141301   0.138983   0.410408   0.032880
    10  C    0.026542   0.017598   0.200108  -0.052189  -0.100495   0.059077
    11  C   -0.008862  -0.000597   0.003774   0.001307  -0.000229  -0.000505
    12  C    0.000377  -0.002631  -0.000180   0.000123   0.000112  -0.000097
    13  O    0.000015  -0.000109  -0.000021  -0.000001   0.000001   0.000002
    14  O   -0.000237   0.000230   0.000016   0.000002   0.000001   0.000001
    15  H   -0.071164   0.019950  -0.064974   0.016140   0.002250  -0.004754
    16  H    0.014573  -0.006128   0.003251  -0.000645  -0.000122   0.000263
    17  H   -0.004138   0.005469   0.001658   0.000066   0.000078  -0.000025
    18  H    0.031214  -0.157408  -0.000287  -0.000607   0.009580  -0.002267
    19  H    2.562812  -0.406130   0.009457  -0.074940  -0.018100   0.031592
    20  H   -0.406130   2.903714   0.106769   0.011846  -0.057675   0.014594
    21  H    0.009457   0.106769   3.081036  -0.098440   0.126597  -0.109144
    22  H   -0.074940   0.011846  -0.098440   1.810729  -0.288913  -0.467805
    23  H   -0.018100  -0.057675   0.126597  -0.288913   1.652392  -0.422200
    24  H    0.031592   0.014594  -0.109144  -0.467805  -0.422200   1.909949
    25  H   -0.011435   0.010969  -0.059984   0.031057  -0.018009  -0.027136
    26  H    0.011196   0.032493   0.139168  -0.001459   0.007587  -0.026477
    27  H    0.030753  -0.022434  -0.085614  -0.022498   0.001146   0.023151
    28  H   -0.000973   0.000011  -0.000548   0.000022   0.000044  -0.000040
    29  C    0.000267  -0.003805   0.001226   0.000129   0.000098  -0.000112
    30  H    0.000037  -0.000063  -0.000016   0.000004  -0.000000   0.000000
    31  H   -0.000501  -0.000218  -0.000121   0.000085  -0.000019  -0.000006
    32  H    0.000070  -0.000910   0.000161   0.000009  -0.000019  -0.000008
    33  H    0.000224   0.000083   0.000086   0.000001   0.000009  -0.000013
              25         26         27         28         29         30
     1  C    0.010926  -0.038830   0.017099  -0.113376  -0.000306  -0.002003
     2  C    0.061122  -0.057427   0.043699   0.021468  -0.116767  -0.000670
     3  C    0.005721  -0.017679   0.093207  -0.071670   0.234336  -0.004166
     4  C   -0.007628   0.034816  -0.052339   0.684857  -0.721666   0.027958
     5  C    0.014113   0.031146  -0.015553  -0.043733  -0.590143  -0.029451
     6  C   -0.093997   0.196437  -0.115881  -0.042170   0.083630   0.008741
     7  C    0.091163  -0.315694  -0.057256  -0.009803  -0.063464  -0.000335
     8  C   -0.100412   0.018079   0.349112   0.002856   0.004576   0.000061
     9  C    0.088734  -0.087397  -0.118886  -0.000048   0.000151   0.000013
    10  C    0.110795   0.200963   0.150735  -0.000663  -0.002746   0.000031
    11  C    0.000292  -0.000740  -0.003581  -1.666196   0.694652   0.031598
    12  C    0.000423   0.000127  -0.000226   0.231143  -0.014978  -0.070169
    13  O   -0.000012   0.000023  -0.000093  -0.002263  -0.001537  -0.038715
    14  O   -0.000021   0.000004   0.000158  -0.037557  -0.003365   0.264137
    15  H    0.000804  -0.007878   0.007790   0.005001   0.005787  -0.000030
    16  H   -0.000525   0.000778   0.001620  -0.207697   0.024813  -0.000746
    17  H    0.000167  -0.000601  -0.000867  -0.018494   0.024798   0.002481
    18  H    0.002308  -0.010609  -0.006680   0.001456   0.015782   0.000057
    19  H   -0.011435   0.011196   0.030753  -0.000973   0.000267   0.000037
    20  H    0.010969   0.032493  -0.022434   0.000011  -0.003805  -0.000063
    21  H   -0.059984   0.139168  -0.085614  -0.000548   0.001226  -0.000016
    22  H    0.031057  -0.001459  -0.022498   0.000022   0.000129   0.000004
    23  H   -0.018009   0.007587   0.001146   0.000044   0.000098  -0.000000
    24  H   -0.027136  -0.026477   0.023151  -0.000040  -0.000112   0.000000
    25  H    2.160060  -0.430056  -0.570599   0.000227   0.000405   0.000005
    26  H   -0.430056   1.765860  -0.307743  -0.000214   0.000408  -0.000003
    27  H   -0.570599  -0.307743   1.955537  -0.000789  -0.003696  -0.000015
    28  H    0.000227  -0.000214  -0.000789   2.746638   0.043320   0.009166
    29  C    0.000405   0.000408  -0.003696   0.043320   4.913159   0.010779
    30  H    0.000005  -0.000003  -0.000015   0.009166   0.010779   0.612083
    31  H   -0.000003   0.000049  -0.002244  -0.021456   0.086119  -0.000638
    32  H   -0.000017   0.000030  -0.001745   0.090081   0.625170   0.003381
    33  H    0.000049   0.000090   0.000314   0.013093  -0.296601   0.000293
              31         32         33
     1  C    0.041737   0.047546  -0.029220
     2  C   -0.052648  -0.066675   0.047637
     3  C    0.158121   0.145913  -0.233688
     4  C   -0.675330  -0.021991   0.895029
     5  C    0.047505  -0.391692   0.142506
     6  C    0.003435  -0.019315  -0.013780
     7  C   -0.013592  -0.010102   0.001588
     8  C    0.002534   0.001244  -0.000482
     9  C    0.000254  -0.000144  -0.000022
    10  C   -0.000442   0.000138   0.000014
    11  C    0.649860  -0.283594  -0.515637
    12  C   -0.100201   0.053318   0.013266
    13  O    0.018082   0.011931   0.004133
    14  O    0.006641  -0.011779   0.004012
    15  H    0.002985  -0.002071   0.000684
    16  H   -0.010473   0.009765   0.002072
    17  H    0.013433  -0.085420   0.015221
    18  H   -0.002306   0.006820  -0.001645
    19  H   -0.000501   0.000070   0.000224
    20  H   -0.000218  -0.000910   0.000083
    21  H   -0.000121   0.000161   0.000086
    22  H    0.000085   0.000009   0.000001
    23  H   -0.000019  -0.000019   0.000009
    24  H   -0.000006  -0.000008  -0.000013
    25  H   -0.000003  -0.000017   0.000049
    26  H    0.000049   0.000030   0.000090
    27  H   -0.002244  -0.001745   0.000314
    28  H   -0.021456   0.090081   0.013093
    29  C    0.086119   0.625170  -0.296601
    30  H   -0.000638   0.003381   0.000293
    31  H    1.769276  -0.337201  -0.378861
    32  H   -0.337201   1.787258  -0.363806
    33  H   -0.378861  -0.363806   1.952581
 Mulliken charges:
               1
     1  C   -0.241323
     2  C    1.347724
     3  C   -0.073431
     4  C    0.697528
     5  C    1.246513
     6  C    0.971520
     7  C    1.641788
     8  C   -0.682057
     9  C    1.032767
    10  C    1.222035
    11  C    0.293238
    12  C    0.826228
    13  O   -0.466538
    14  O   -0.452145
    15  H   -1.014214
    16  H   -1.002366
    17  H   -1.128996
    18  H   -1.143838
    19  H   -0.570772
    20  H   -0.575038
    21  H   -0.654447
    22  H   -0.204139
    23  H   -0.138335
    24  H   -0.204820
    25  H   -0.269506
    26  H   -0.136448
    27  H   -0.285582
    28  H   -0.611692
    29  C    1.049579
    30  H    0.176196
    31  H   -0.203855
    32  H   -0.186347
    33  H   -0.259229
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.255537
     2  C    1.347724
     3  C   -1.075796
     4  C    0.697528
     5  C    0.117517
     6  C   -0.172318
     7  C    0.495978
     8  C   -1.336504
     9  C    0.485473
    10  C    0.530500
    11  C   -0.318454
    12  C    0.826228
    13  O   -0.466538
    14  O   -0.275949
    29  C    0.400148
 Electronic spatial extent (au):  <R**2>=           4748.9942
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0668    Y=             -0.8322    Z=              1.1714  Tot=              1.7897
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.4407   YY=            -92.0807   ZZ=            -90.4464
   XY=             -3.8048   XZ=              4.2407   YZ=              1.4240
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5485   YY=             -1.0914   ZZ=              0.5429
   XY=             -3.8048   XZ=              4.2407   YZ=              1.4240
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.0072  YYY=             -7.7661  ZZZ=             -1.1032  XYY=             17.0111
  XXY=            -31.4681  XXZ=             14.4779  XZZ=              4.8154  YZZ=             -6.0474
  YYZ=             -3.5208  XYZ=             18.0288
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5277.7824 YYYY=           -648.8735 ZZZZ=           -489.9360 XXXY=           -179.4624
 XXXZ=              2.9968 YYYX=            -25.2100 YYYZ=              9.8961 ZZZX=              5.0370
 ZZZY=             -9.2155 XXYY=           -943.6808 XXZZ=           -973.2467 YYZZ=           -179.6770
 XXYZ=             81.6993 YYXZ=            -37.6564 ZZXY=            -28.0382
 N-N= 9.705837382899D+02 E-N=-3.467030042462D+03  KE= 6.517135512185D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 21:07:10 2021, MaxMem=  6442450944 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.6919   -1.6926        4.8155    4.8153
 2      1.6919    1.6926        4.7235    4.7252      -40.9291  -40.9304
 3     -4.8155   -4.8153       39.7653   39.7680       -4.7257   -4.7252
 4     -4.7235   -4.7252        0.0000    0.0000       -4.8146   -4.8153
 5      1.1639    1.1624        4.8146    4.8153       -1.6952   -1.6926
 6      4.7257    4.7252        1.6952    1.6926       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        5.0777    5.0777       14.4458   14.4458
 2    -14.1755  -14.1755       -0.0000    0.0000       14.4458   14.4458
 3    -14.1755  -14.1755        5.0777    5.0777       -0.0000    0.0000
 4      5.0777    5.0777       14.1755   14.1755     -122.7913 -122.7913
 5    -14.4458  -14.4458      119.3040  119.3040      -14.1755  -14.1755
 6      3.4873    3.4873       14.4458   14.4458       -5.0777   -5.0777
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0141    0.0000        6.7316    6.7703      -19.4303  -19.2611
 2     -6.7239   -6.7703      -18.9503  -18.9007      163.5682  163.7218
 3     19.2312   19.2611     -159.0171 -159.0720       18.8665   18.9007
 4     18.8771   18.9007       -0.0312    0.0000       19.2410   19.2611
 5     -4.6841   -4.6497      -19.2454  -19.2611        6.7157    6.7703
 6    -18.9214  -18.9007       -6.7701   -6.7703       -0.0024    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0003    0.0000      -12.2073  -12.2440       33.5567   33.4894
 2     12.3058   12.2440       -3.2931   -3.3402       12.8462   12.7848
 3    -33.4426  -33.4894      -18.2646  -18.2369        3.2641    3.3402
 4      3.4023    3.3402       -0.0616    0.0000      -33.5416  -33.4894
 5      5.5190    5.4522       33.3350   33.4894      -12.3300  -12.2440
 6     -3.3958   -3.3402       12.3288   12.2440        0.0465    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.1900  -10.1480        8.2352    8.1482      -48.1849  -48.1181
 2     -0.4529   -0.5099       27.1658   27.2603      -48.1994  -48.1181
 3     -0.4537   -0.5099        8.0506    8.1482      -98.5521  -98.4963
 4    -19.1207  -19.1121       -9.6163   -9.6381       14.0007   13.9545
 5    -50.1953  -50.3782        5.4854    5.4866        9.6193    9.6381
 6    -19.3972  -19.4410       50.1897   50.3782       19.1012   19.1121
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.2931                 0.8976                 2.8061
  Dep-P Fr= 1--      0.7451                 0.7496                 0.7230
  Dep-U Fr= 1--      0.8539                 0.8569                 0.8393
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0013
 Beta2  Fr= 1--      0.0417                 0.1282                 0.3925
 AlphaG Fr= 1--     -0.0005                -0.0003                 0.0063
 Gamma2 Fr= 1--     -0.3354                -0.4401                 0.1436
 Delta2 Fr= 1--     -0.3317                 0.1297                -0.6201
 Raman1 Fr= 1--       1.173                  3.591                 11.225
 ROA1   Fr= 1--     -42.814                -38.096                 -6.055
 CID1   Fr= 1--     -36.512                -10.610                 -0.539
 Raman2 Fr= 1--       0.501                  1.538                  4.710
 ROA2   Fr= 1--      -5.396                -11.599                  8.407
 CID2   Fr= 1--     -10.778                 -7.540                  1.785
 Raman3 Fr= 1--       1.001                  3.077                  9.420
 ROA3   Fr= 1--     -42.814                -38.096                 -6.055
 CID3   Fr= 1--     -42.759                -12.382                 -0.643
 RC180  Fr= 1--       0.708                  0.714                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      2.1676                 1.1951                 2.5656
  Dep-P Fr= 1--      0.7448                 0.7369                 0.6363
  Dep-U Fr= 1--      0.8538                 0.8485                 0.7777
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0053
 Beta2  Fr= 1--      0.3084                 0.1690                 0.3326
 AlphaG Fr= 1--     -0.0004                 0.0003                -0.0003
 Gamma2 Fr= 1--      1.4293                -1.3341                 0.9860
 Delta2 Fr= 1--      1.5041                -0.6435                 0.5244
 Raman1 Fr= 1--       8.670                  4.781                 10.262
 ROA1   Fr= 1--     185.341               -148.669                111.437
 CID1   Fr= 1--      21.377                -31.099                 10.859
 Raman2 Fr= 1--       3.701                  2.028                  3.991
 ROA2   Fr= 1--      22.270                -26.872                 19.468
 CID2   Fr= 1--       6.017                -13.249                  4.879
 Raman3 Fr= 1--       7.402                  4.056                  7.981
 ROA3   Fr= 1--     185.341               -148.669                111.437
 CID3   Fr= 1--      25.038                -36.649                 13.962
 RC180  Fr= 1--       0.708                  0.697                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5060                 0.1701                 0.7890
  Dep-P Fr= 1--      0.5897                 0.7300                 0.1865
  Dep-U Fr= 1--      0.7419                 0.8439                 0.3144
 Alpha2 Fr= 1--      0.0015                 0.0001                 0.0111
 Beta2  Fr= 1--      0.0626                 0.0239                 0.0413
 AlphaG Fr= 1--     -0.0033                -0.0012                 0.0041
 Gamma2 Fr= 1--      0.2945                -0.0308                -0.0787
 Delta2 Fr= 1--      0.1605                 0.0607                 0.0522
 Raman1 Fr= 1--       2.024                  0.680                  3.156
 ROA1   Fr= 1--      33.402                 -1.019                 -5.882
 CID1   Fr= 1--      16.503                 -1.498                 -1.864
 Raman2 Fr= 1--       0.751                  0.287                  0.496
 ROA2   Fr= 1--       5.783                 -1.225                 -2.305
 CID2   Fr= 1--       7.703                 -4.269                 -4.646
 Raman3 Fr= 1--       1.502                  0.574                  0.992
 ROA3   Fr= 1--      33.402                 -1.019                 -5.882
 CID3   Fr= 1--      22.245                 -1.775                 -5.927
 RC180  Fr= 1--       0.484                  0.688                 -0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1143                 1.6874                 0.3501
  Dep-P Fr= 1--      0.4661                 0.1876                 0.7495
  Dep-U Fr= 1--      0.6359                 0.3159                 0.8568
 Alpha2 Fr= 1--      0.0007                 0.0237                 0.0000
 Beta2  Fr= 1--      0.0121                 0.0888                 0.0500
 AlphaG Fr= 1--      0.0029                 0.0052                 0.0005
 Gamma2 Fr= 1--      0.0035                -0.2481                 0.2067
 Delta2 Fr= 1--     -0.0204                -0.2025                 0.2959
 Raman1 Fr= 1--       0.457                  6.750                  1.401
 ROA1   Fr= 1--      -0.312                -30.298                 29.314
 CID1   Fr= 1--      -0.683                 -4.489                 20.931
 Raman2 Fr= 1--       0.145                  1.066                  0.600
 ROA2   Fr= 1--       0.248                 -4.334                  2.594
 CID2   Fr= 1--       1.707                 -4.066                  4.324
 Raman3 Fr= 1--       0.291                  2.132                  1.200
 ROA3   Fr= 1--      -0.312                -30.298                 29.314
 CID3   Fr= 1--      -1.075                -14.211                 24.429
 RC180  Fr= 1--       0.272                 -0.368                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.3646                 1.3725                 1.7574
  Dep-P Fr= 1--      0.0871                 0.7382                 0.7496
  Dep-U Fr= 1--      0.1602                 0.8494                 0.8569
 Alpha2 Fr= 1--      0.0247                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0364                 0.1943                 0.2510
 AlphaG Fr= 1--     -0.0027                -0.0006                 0.0003
 Gamma2 Fr= 1--     -0.1696                -0.8996                 0.7727
 Delta2 Fr= 1--      0.0597                -0.8876                 0.1689
 Raman1 Fr= 1--       5.458                  5.490                  7.030
 ROA1   Fr= 1--     -14.370               -114.764                 79.582
 CID1   Fr= 1--      -2.633                -20.905                 11.321
 Raman2 Fr= 1--       0.437                  2.331                  3.012
 ROA2   Fr= 1--      -4.548                -14.490                 17.193
 CID2   Fr= 1--     -10.399                 -6.215                  5.709
 Raman3 Fr= 1--       0.875                  4.663                  6.024
 ROA3   Fr= 1--     -14.370               -114.764                 79.582
 CID3   Fr= 1--     -16.429                -24.612                 13.212
 RC180  Fr= 1--      -0.680                  0.699                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.0659                 3.7325                 0.0134
  Dep-P Fr= 1--      0.1244                 0.1375                 0.5046
  Dep-U Fr= 1--      0.2213                 0.2418                 0.6708
 Alpha2 Fr= 1--      0.0176                 0.0595                 0.0001
 Beta2  Fr= 1--      0.0393                 0.1504                 0.0015
 AlphaG Fr= 1--      0.0155                 0.0351                 0.0046
 Gamma2 Fr= 1--      0.0562                 0.6391                -0.2107
 Delta2 Fr= 1--     -0.1392                 0.1072                -0.0068
 Raman1 Fr= 1--       4.263                 14.930                  0.054
 ROA1   Fr= 1--       0.937                 64.787                -20.447
 CID1   Fr= 1--       0.220                  4.339               -380.151
 Raman2 Fr= 1--       0.472                  1.805                  0.018
 ROA2   Fr= 1--       2.461                 14.481                 -5.003
 CID2   Fr= 1--       5.217                  8.022               -277.343
 Raman3 Fr= 1--       0.944                  3.611                  0.036
 ROA3   Fr= 1--       0.937                 64.787                -20.447
 CID3   Fr= 1--       0.993                 17.944               -566.725
 RC180  Fr= 1--      -0.557                 -0.516                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.3849                 0.9248                 0.4404
  Dep-P Fr= 1--      0.3627                 0.1884                 0.6436
  Dep-U Fr= 1--      0.5323                 0.3171                 0.7831
 Alpha2 Fr= 1--      0.0032                 0.0129                 0.0008
 Beta2  Fr= 1--      0.0341                 0.0489                 0.0575
 AlphaG Fr= 1--      0.0009                -0.0137                -0.0044
 Gamma2 Fr= 1--      0.1028                 0.5487                 0.1788
 Delta2 Fr= 1--     -0.1582                 0.2324                 0.0959
 Raman1 Fr= 1--       1.539                  3.699                  1.762
 ROA1   Fr= 1--       4.803                 60.114                 20.230
 CID1   Fr= 1--       3.120                 16.251                 11.483
 Raman2 Fr= 1--       0.410                  0.586                  0.690
 ROA2   Fr= 1--       3.732                 11.310                  3.523
 CID2   Fr= 1--       9.108                 19.285                  5.106
 Raman3 Fr= 1--       0.819                  1.173                  1.380
 ROA3   Fr= 1--       4.803                 60.114                 20.230
 CID3   Fr= 1--       5.862                 51.250                 14.663
 RC180  Fr= 1--       0.065                 -0.366                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.5815                 1.0844                 3.2703
  Dep-P Fr= 1--      0.2624                 0.7478                 0.6494
  Dep-U Fr= 1--      0.4157                 0.8557                 0.7875
 Alpha2 Fr= 1--      0.0181                 0.0000                 0.0059
 Beta2  Fr= 1--      0.1096                 0.1547                 0.4292
 AlphaG Fr= 1--     -0.0208                 0.0016                -0.0264
 Gamma2 Fr= 1--     -0.3091                -1.1315                -0.1671
 Delta2 Fr= 1--     -0.0188                -0.3779                 0.0720
 Raman1 Fr= 1--       6.326                  4.338                 13.081
 ROA1   Fr= 1--     -30.280               -120.714                -13.743
 CID1   Fr= 1--      -4.787                -27.830                 -1.051
 Raman2 Fr= 1--       1.315                  1.856                  5.150
 ROA2   Fr= 1--      -7.269                -24.132                 -4.587
 CID2   Fr= 1--      -5.528                -13.003                 -0.891
 Raman3 Fr= 1--       2.630                  3.712                 10.301
 ROA3   Fr= 1--     -30.280               -120.714                -13.743
 CID3   Fr= 1--     -11.514                -32.523                 -1.334
 RC180  Fr= 1--      -0.169                  0.711                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      5.0042                 1.6138                13.2979
  Dep-P Fr= 1--      0.4494                 0.1144                 0.0407
  Dep-U Fr= 1--      0.6201                 0.2053                 0.0782
 Alpha2 Fr= 1--      0.0308                 0.0273                 0.2686
 Beta2  Fr= 1--      0.5172                 0.0552                 0.1733
 AlphaG Fr= 1--     -0.0214                 0.0416                -0.0021
 Gamma2 Fr= 1--      0.2057                 1.0447                 0.1407
 Delta2 Fr= 1--     -0.3865                 0.3448                -0.0636
 Raman1 Fr= 1--      20.017                  6.455                 53.192
 ROA1   Fr= 1--       7.381                111.323                 11.473
 CID1   Fr= 1--       0.369                 17.246                  0.216
 Raman2 Fr= 1--       6.206                  0.663                  2.080
 ROA2   Fr= 1--       8.030                 22.313                  3.886
 CID2   Fr= 1--       1.294                 33.676                  1.869
 Raman3 Fr= 1--      12.413                  1.325                  4.159
 ROA3   Fr= 1--       7.381                111.323                 11.473
 CID3   Fr= 1--       0.595                 84.005                  2.759
 RC180  Fr= 1--       0.240                 -0.589                 -0.844
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      7.5316                 6.0574                22.1668
  Dep-P Fr= 1--      0.0546                 0.2204                 0.0414
  Dep-U Fr= 1--      0.1036                 0.3611                 0.0796
 Alpha2 Fr= 1--      0.1471                 0.0779                 0.4469
 Beta2  Fr= 1--      0.1301                 0.3646                 0.2941
 AlphaG Fr= 1--     -0.0259                -0.0801                 0.0405
 Gamma2 Fr= 1--     -0.7932                 1.4313                 1.4286
 Delta2 Fr= 1--     -0.7467                 0.8733                -0.0718
 Raman1 Fr= 1--      30.126                 24.230                 88.667
 ROA1   Fr= 1--    -100.039                165.347                134.843
 CID1   Fr= 1--      -3.321                  6.824                  1.521
 Raman2 Fr= 1--       1.561                  4.375                  3.529
 ROA2   Fr= 1--     -13.063                 27.364                 34.860
 CID2   Fr= 1--      -8.369                  6.254                  9.879
 Raman3 Fr= 1--       3.122                  8.750                  7.058
 ROA3   Fr= 1--    -100.039                165.347                134.843
 CID3   Fr= 1--     -32.044                 18.896                 19.106
 RC180  Fr= 1--      -0.793                 -0.278                 -0.841
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.4288                 8.2638                 1.8544
  Dep-P Fr= 1--      0.2475                 0.1779                 0.1083
  Dep-U Fr= 1--      0.3968                 0.3021                 0.1955
 Alpha2 Fr= 1--      0.0409                 0.1189                 0.0318
 Beta2  Fr= 1--      0.2268                 0.4160                 0.0604
 AlphaG Fr= 1--     -0.0540                -0.0219                -0.0549
 Gamma2 Fr= 1--      0.0928                 0.7242                -1.4203
 Delta2 Fr= 1--     -0.5084                 0.0793                -0.5772
 Raman1 Fr= 1--      13.715                 33.055                  7.418
 ROA1   Fr= 1--      -7.359                 72.061               -154.816
 CID1   Fr= 1--      -0.537                  2.180                -20.871
 Raman2 Fr= 1--       2.721                  4.992                  0.725
 ROA2   Fr= 1--       6.295                 16.746                -29.469
 CID2   Fr= 1--       2.313                  3.354                -40.648
 Raman3 Fr= 1--       5.443                  9.984                  1.450
 ROA3   Fr= 1--      -7.359                 72.061               -154.816
 CID3   Fr= 1--      -1.352                  7.217               -106.775
 RC180  Fr= 1--      -0.206                 -0.396                 -0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      2.9633                 1.1213                 3.4473
  Dep-P Fr= 1--      0.7455                 0.5106                 0.6918
  Dep-U Fr= 1--      0.8542                 0.6760                 0.8178
 Alpha2 Fr= 1--      0.0002                 0.0053                 0.0035
 Beta2  Fr= 1--      0.4219                 0.1263                 0.4699
 AlphaG Fr= 1--     -0.0008                 0.0191                 0.0355
 Gamma2 Fr= 1--     -0.5990                -0.2893                -0.3991
 Delta2 Fr= 1--     -0.3440                -0.6997                 0.5877
 Raman1 Fr= 1--      11.853                  4.485                 13.789
 ROA1   Fr= 1--     -68.513                -50.159                -19.505
 CID1   Fr= 1--      -5.780                -11.183                 -1.415
 Raman2 Fr= 1--       5.062                  1.516                  5.639
 ROA2   Fr= 1--     -11.623                 -1.344                -14.279
 CID2   Fr= 1--      -2.296                 -0.887                 -2.532
 Raman3 Fr= 1--      10.125                  3.032                 11.277
 ROA3   Fr= 1--     -68.513                -50.159                -19.505
 CID3   Fr= 1--      -6.767                -16.543                 -1.730
 RC180  Fr= 1--       0.708                  0.352                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      2.0179                 1.9729                 0.6150
  Dep-P Fr= 1--      0.6882                 0.5910                 0.6215
  Dep-U Fr= 1--      0.8153                 0.7429                 0.7666
 Alpha2 Fr= 1--      0.0022                 0.0058                 0.0014
 Beta2  Fr= 1--      0.2742                 0.2443                 0.0786
 AlphaG Fr= 1--     -0.0097                 0.0179                 0.0151
 Gamma2 Fr= 1--     -1.6308                -0.9778                 0.7273
 Delta2 Fr= 1--     -0.6782                -0.0639                -0.1459
 Raman1 Fr= 1--       8.072                  7.892                  2.460
 ROA1   Fr= 1--    -178.263                -95.916                 65.154
 CID1   Fr= 1--     -22.085                -12.154                 26.485
 Raman2 Fr= 1--       3.290                  2.931                  0.943
 ROA2   Fr= 1--     -33.714                -22.956                 18.623
 CID2   Fr= 1--     -10.246                 -7.831                 19.751
 Raman3 Fr= 1--       6.581                  5.863                  1.886
 ROA3   Fr= 1--    -178.263                -95.916                 65.154
 CID3   Fr= 1--     -27.088                -16.359                 34.551
 RC180  Fr= 1--       0.631                  0.486                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     11.7568                 0.0306                 2.1440
  Dep-P Fr= 1--      0.2446                 0.7489                 0.7038
  Dep-U Fr= 1--      0.3931                 0.8564                 0.8262
 Alpha2 Fr= 1--      0.1414                 0.0000                 0.0017
 Beta2  Fr= 1--      0.7702                 0.0044                 0.2952
 AlphaG Fr= 1--      0.0208                 0.0000                 0.0171
 Gamma2 Fr= 1--     -0.2742                -0.1819                -2.0036
 Delta2 Fr= 1--     -1.4886                 0.1136                 0.4004
 Raman1 Fr= 1--      47.027                  0.123                  8.576
 ROA1   Fr= 1--     -73.960                -13.829               -179.531
 CID1   Fr= 1--      -1.573               -112.892                -20.935
 Raman2 Fr= 1--       9.243                  0.052                  3.543
 ROA2   Fr= 1--       5.328                 -5.275                -51.289
 CID2   Fr= 1--       0.576               -100.556                -14.478
 Raman3 Fr= 1--      18.485                  0.105                  7.085
 ROA3   Fr= 1--     -73.960                -13.829               -179.531
 CID3   Fr= 1--      -4.001               -131.820                -25.340
 RC180  Fr= 1--      -0.214                  0.713                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      2.3440                 4.5618                19.6536
  Dep-P Fr= 1--      0.5839                 0.1145                 0.3601
  Dep-U Fr= 1--      0.7373                 0.2055                 0.5295
 Alpha2 Fr= 1--      0.0073                 0.0771                 0.1670
 Beta2  Fr= 1--      0.2880                 0.1562                 1.7344
 AlphaG Fr= 1--     -0.0078                 0.0881                -0.0692
 Gamma2 Fr= 1--      1.2629                -0.1073                 1.5828
 Delta2 Fr= 1--      1.7460                 0.7112                 0.9368
 Raman1 Fr= 1--       9.376                 18.247                 78.614
 ROA1   Fr= 1--     177.105                 12.459                181.927
 CID1   Fr= 1--      18.889                  0.683                  2.314
 Raman2 Fr= 1--       3.456                  1.875                 20.812
 ROA2   Fr= 1--      16.341                 -8.264                 30.493
 CID2   Fr= 1--       4.728                 -4.408                  1.465
 Raman3 Fr= 1--       6.913                  3.749                 41.625
 ROA3   Fr= 1--     177.105                 12.459                181.927
 CID3   Fr= 1--      25.621                  3.323                  4.371
 RC180  Fr= 1--       0.475                 -0.589                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      1.5070                 1.9158                 3.1186
  Dep-P Fr= 1--      0.4984                 0.6502                 0.5078
  Dep-U Fr= 1--      0.6652                 0.7881                 0.6736
 Alpha2 Fr= 1--      0.0075                 0.0034                 0.0148
 Beta2  Fr= 1--      0.1671                 0.2516                 0.3501
 AlphaG Fr= 1--     -0.0062                 0.0128                -0.0057
 Gamma2 Fr= 1--     -1.8671                -1.6465                 1.6416
 Delta2 Fr= 1--     -1.0363                -0.4634                -0.5508
 Raman1 Fr= 1--       6.028                  7.663                 12.474
 ROA1   Fr= 1--    -212.400               -172.888                139.972
 CID1   Fr= 1--     -35.235                -22.561                 11.221
 Raman2 Fr= 1--       2.005                  3.020                  4.201
 ROA2   Fr= 1--     -36.519                -35.808                 43.806
 CID2   Fr= 1--     -18.214                -11.859                 10.427
 Raman3 Fr= 1--       4.010                  6.039                  8.403
 ROA3   Fr= 1--    -212.400               -172.888                139.972
 CID3   Fr= 1--     -52.968                -28.628                 16.658
 RC180  Fr= 1--       0.330                  0.576                  0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     50.5219                40.5545                38.3969
  Dep-P Fr= 1--      0.1004                 0.1670                 0.1431
  Dep-U Fr= 1--      0.1824                 0.2861                 0.2504
 Alpha2 Fr= 1--      0.8837                 0.6004                 0.6040
 Beta2  Fr= 1--      1.5362                 1.9340                 1.6027
 AlphaG Fr= 1--     -0.0933                -0.0426                -0.1260
 Gamma2 Fr= 1--      0.8231                 0.9837                -1.7492
 Delta2 Fr= 1--      0.4139                 0.0315                 0.2423
 Raman1 Fr= 1--     202.088                162.218                153.588
 ROA1   Fr= 1--      92.260                 95.440               -160.174
 CID1   Fr= 1--       0.457                  0.588                 -1.043
 Raman2 Fr= 1--      18.435                 23.208                 19.232
 ROA2   Fr= 1--      16.443                 23.356                -43.920
 CID2   Fr= 1--       0.892                  1.006                 -2.284
 Raman3 Fr= 1--      36.869                 46.417                 38.464
 ROA3   Fr= 1--      92.260                 95.440               -160.174
 CID3   Fr= 1--       2.502                  2.056                 -4.164
 RC180  Fr= 1--      -0.635                 -0.428                 -0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      5.8732                 4.6480                 3.4386
  Dep-P Fr= 1--      0.5652                 0.5673                 0.7049
  Dep-U Fr= 1--      0.7222                 0.7239                 0.8269
 Alpha2 Fr= 1--      0.0205                 0.0161                 0.0027
 Beta2  Fr= 1--      0.7070                 0.5608                 0.4739
 AlphaG Fr= 1--      0.0155                 0.0194                 0.0034
 Gamma2 Fr= 1--      2.7954                 2.3505                -4.3030
 Delta2 Fr= 1--     -0.1709                 1.1173                -0.5757
 Raman1 Fr= 1--      23.493                 18.592                 13.754
 ROA1   Fr= 1--     262.889                261.404               -431.508
 CID1   Fr= 1--      11.190                 14.060                -31.373
 Raman2 Fr= 1--       8.484                  6.729                  5.687
 ROA2   Fr= 1--      68.456                 47.474                -98.666
 CID2   Fr= 1--       8.069                  7.055                -17.349
 Raman3 Fr= 1--      16.967                 13.459                 11.374
 ROA3   Fr= 1--     262.889                261.404               -431.508
 CID3   Fr= 1--      15.494                 19.423                -37.938
 RC180  Fr= 1--       0.444                  0.448                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     22.8278                 3.9751                 7.9886
  Dep-P Fr= 1--      0.2833                 0.5621                 0.5786
  Dep-U Fr= 1--      0.4415                 0.7197                 0.7331
 Alpha2 Fr= 1--      0.2460                 0.0142                 0.0257
 Beta2  Fr= 1--      1.6796                 0.4768                 0.9760
 AlphaG Fr= 1--      0.0774                -0.0533                -0.0379
 Gamma2 Fr= 1--      3.0943                -6.8234                 6.2614
 Delta2 Fr= 1--     -0.2044                -2.3207                 2.4645
 Raman1 Fr= 1--      91.311                 15.901                 31.954
 ROA1   Fr= 1--     290.515               -729.308                679.958
 CID1   Fr= 1--       3.182                -45.867                 21.279
 Raman2 Fr= 1--      20.155                  5.722                 11.713
 ROA2   Fr= 1--      75.899               -145.196                130.558
 CID2   Fr= 1--       3.766                -25.376                 11.147
 Raman3 Fr= 1--      40.311                 11.444                 23.425
 ROA3   Fr= 1--     290.515               -729.308                679.958
 CID3   Fr= 1--       7.207                -63.731                 29.027
 RC180  Fr= 1--      -0.117                  0.439                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--      8.1767                15.6180                 6.0171
  Dep-P Fr= 1--      0.2401                 0.4799                 0.7321
  Dep-U Fr= 1--      0.3873                 0.6485                 0.8453
 Alpha2 Fr= 1--      0.0996                 0.0845                 0.0018
 Beta2  Fr= 1--      0.5278                 1.6882                 0.8477
 AlphaG Fr= 1--     -0.2218                -0.1469                 0.0232
 Gamma2 Fr= 1--     -3.6823                -1.1219                 2.0607
 Delta2 Fr= 1--     -0.0849                 1.6468                -1.7560
 Raman1 Fr= 1--      32.707                 62.472                 24.068
 ROA1   Fr= 1--    -356.221                -55.009                141.632
 CID1   Fr= 1--     -10.891                 -0.881                  5.885
 Raman2 Fr= 1--       6.333                 20.258                 10.173
 ROA2   Fr= 1--     -87.697                -40.101                 63.504
 CID2   Fr= 1--     -13.847                 -1.980                  6.243
 Raman3 Fr= 1--      12.667                 40.516                 20.345
 ROA3   Fr= 1--    -356.221                -55.009                141.632
 CID3   Fr= 1--     -28.123                 -1.358                  6.962
 RC180  Fr= 1--      -0.225                  0.297                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1330                 1.2841                 1.4252
  Dep-P Fr= 1--      0.4902                 0.5702                 0.5013
  Dep-U Fr= 1--      0.6579                 0.7263                 0.6678
 Alpha2 Fr= 1--      0.0007                 0.0044                 0.0070
 Beta2  Fr= 1--      0.0146                 0.1554                 0.1586
 AlphaG Fr= 1--     -0.0029                 0.0092                -0.0063
 Gamma2 Fr= 1--      0.0697                 0.0282                -0.0411
 Delta2 Fr= 1--     -0.0106                 0.1039                 0.1390
 Raman1 Fr= 1--       0.532                  5.137                  5.701
 ROA1   Fr= 1--       6.354                  6.030                  0.506
 CID1   Fr= 1--      11.944                  1.174                  0.089
 Raman2 Fr= 1--       0.175                  1.865                  1.904
 ROA2   Fr= 1--       1.758                 -0.155                 -2.098
 CID2   Fr= 1--      10.045                 -0.083                 -1.102
 Raman3 Fr= 1--       0.350                  3.731                  3.807
 ROA3   Fr= 1--       6.354                  6.030                  0.506
 CID3   Fr= 1--      18.154                  1.616                  0.133
 RC180  Fr= 1--       0.316                  0.453                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.5114                 1.6300                10.3220
  Dep-P Fr= 1--      0.7083                 0.6234                 0.7211
  Dep-U Fr= 1--      0.8293                 0.7680                 0.8380
 Alpha2 Fr= 1--      0.0004                 0.0038                 0.0051
 Beta2  Fr= 1--      0.0707                 0.2087                 1.4416
 AlphaG Fr= 1--     -0.0138                -0.0393                 0.0058
 Gamma2 Fr= 1--      2.1507                -1.0607                -2.4777
 Delta2 Fr= 1--     -0.9801                 0.4627                 0.7174
 Raman1 Fr= 1--       2.046                  6.520                 41.288
 ROA1   Fr= 1--     175.108                -87.020               -214.904
 CID1   Fr= 1--      85.605                -13.347                 -5.205
 Raman2 Fr= 1--       0.848                  2.504                 17.299
 ROA2   Fr= 1--      59.459                -29.159                -65.204
 CID2   Fr= 1--      70.103                -11.646                 -3.769
 Raman3 Fr= 1--       1.696                  5.008                 34.599
 ROA3   Fr= 1--     175.108                -87.020               -214.904
 CID3   Fr= 1--     103.228                -17.377                 -6.211
 RC180  Fr= 1--       0.659                  0.536                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      4.2881                 2.9681                 5.1765
  Dep-P Fr= 1--      0.5790                 0.7108                 0.6161
  Dep-U Fr= 1--      0.7334                 0.8309                 0.7625
 Alpha2 Fr= 1--      0.0138                 0.0020                 0.0127
 Beta2  Fr= 1--      0.5241                 0.4111                 0.6578
 AlphaG Fr= 1--     -0.0063                -0.0117                 0.0841
 Gamma2 Fr= 1--     -0.4442                -1.3197                 1.8551
 Delta2 Fr= 1--     -1.3031                 0.3586                 1.7711
 Raman1 Fr= 1--      17.152                 11.872                 20.706
 ROA1   Fr= 1--     -84.338               -115.213                234.763
 CID1   Fr= 1--      -4.917                 -9.704                 11.338
 Raman2 Fr= 1--       6.290                  4.933                  7.894
 ROA2   Fr= 1--      -0.236                -34.540                 30.353
 CID2   Fr= 1--      -0.037                 -7.002                  3.845
 Raman3 Fr= 1--      12.579                  9.865                 15.788
 ROA3   Fr= 1--     -84.338               -115.213                234.763
 CID3   Fr= 1--      -6.705                -11.679                 14.870
 RC180  Fr= 1--       0.467                  0.662                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--      7.0470                 1.2113                 0.6034
  Dep-P Fr= 1--      0.7385                 0.5063                 0.6449
  Dep-U Fr= 1--      0.8496                 0.6723                 0.7841
 Alpha2 Fr= 1--      0.0014                 0.0058                 0.0011
 Beta2  Fr= 1--      0.9978                 0.1357                 0.0789
 AlphaG Fr= 1--     -0.0067                 0.0036                -0.0044
 Gamma2 Fr= 1--      0.8395                 1.5697                -0.6003
 Delta2 Fr= 1--     -0.1133                 0.3981                 0.0334
 Raman1 Fr= 1--      28.188                  4.845                  2.414
 ROA1   Fr= 1--      76.964                163.434                -56.556
 CID1   Fr= 1--       2.730                 33.731                -23.432
 Raman2 Fr= 1--      11.974                  1.629                  0.946
 ROA2   Fr= 1--      21.054                 34.489                -14.673
 CID2   Fr= 1--       1.758                 21.176                -15.506
 Raman3 Fr= 1--      23.948                  3.257                  1.893
 ROA3   Fr= 1--      76.964                163.434                -56.556
 CID3   Fr= 1--       3.214                 50.175                -29.883
 RC180  Fr= 1--       0.699                  0.345                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      1.3751               142.9496                18.0654
  Dep-P Fr= 1--      0.6692                 0.4719                 0.1699
  Dep-U Fr= 1--      0.8018                 0.6412                 0.2904
 Alpha2 Fr= 1--      0.0020                 0.8003                 0.2654
 Beta2  Fr= 1--      0.1838                15.2766                 0.8745
 AlphaG Fr= 1--      0.0235                -0.3653                -0.4963
 Gamma2 Fr= 1--      0.2721                -1.4986                -0.8746
 Delta2 Fr= 1--     -0.0208                 0.7402                 1.0058
 Raman1 Fr= 1--       5.501                571.798                 72.262
 ROA1   Fr= 1--      25.454               -120.181                -51.776
 CID1   Fr= 1--       4.628                 -0.210                 -0.717
 Raman2 Fr= 1--       2.205                183.320                 10.494
 ROA2   Fr= 1--       6.697                -41.888                -29.036
 CID2   Fr= 1--       3.037                 -0.228                 -2.767
 Raman3 Fr= 1--       4.410                366.639                 20.988
 ROA3   Fr= 1--      25.454               -120.181                -51.776
 CID3   Fr= 1--       5.771                 -0.328                 -2.467
 RC180  Fr= 1--       0.604                  0.282                 -0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    144.3103                13.7227                30.6184
  Dep-P Fr= 1--      0.1746                 0.6699                 0.2898
  Dep-U Fr= 1--      0.2973                 0.8023                 0.4493
 Alpha2 Fr= 1--      2.0948                 0.0195                 0.3237
 Beta2  Fr= 1--      7.1494                 1.8350                 2.2929
 AlphaG Fr= 1--     -1.2019                -0.0643                 0.1601
 Gamma2 Fr= 1--    -10.2424                 3.9002                -1.6531
 Delta2 Fr= 1--     -6.1548                 2.1028                 3.7334
 Raman1 Fr= 1--     577.241                 54.891                122.474
 ROA1   Fr= 1--   -1180.224                441.711                -39.232
 CID1   Fr= 1--      -2.045                  8.047                 -0.320
 Raman2 Fr= 1--      85.793                 22.021                 27.515
 ROA2   Fr= 1--    -196.580                 76.784                -69.542
 CID2   Fr= 1--      -2.291                  3.487                 -2.527
 Raman3 Fr= 1--     171.586                 44.041                 55.030
 ROA3   Fr= 1--   -1180.224                441.711                -39.232
 CID3   Fr= 1--      -6.878                 10.030                 -0.713
 RC180  Fr= 1--      -0.405                  0.605                 -0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    460.8030               230.8968                29.7944
  Dep-P Fr= 1--      0.0105                 0.0640                 0.7247
  Dep-U Fr= 1--      0.0208                 0.1202                 0.8404
 Alpha2 Fr= 1--      9.9913                 4.4112                 0.0129
 Beta2  Fr= 1--      1.5993                 4.6273                 4.1731
 AlphaG Fr= 1--      1.3099                -0.5020                 0.1333
 Gamma2 Fr= 1--      1.9671                -0.3219                -0.3380
 Delta2 Fr= 1--     -0.0419                 3.7669                -2.0017
 Raman1 Fr= 1--    1843.212                923.587                119.178
 ROA1   Fr= 1--     187.502                 89.642                -96.502
 CID1   Fr= 1--       0.102                  0.097                 -0.810
 Raman2 Fr= 1--      19.191                 55.527                 50.078
 ROA2   Fr= 1--      47.545                -37.860                  7.901
 CID2   Fr= 1--       2.477                 -0.682                  0.158
 Raman3 Fr= 1--      38.382                111.054                100.155
 ROA3   Fr= 1--     187.502                 89.642                -96.502
 CID3   Fr= 1--       4.885                  0.807                 -0.964
 RC180  Fr= 1--      -0.958                 -0.760                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     69.9613                23.5082               116.3885
  Dep-P Fr= 1--      0.1765                 0.7341                 0.4459
  Dep-U Fr= 1--      0.3000                 0.8467                 0.6168
 Alpha2 Fr= 1--      1.0106                 0.0064                 0.7253
 Beta2  Fr= 1--      3.4978                 3.3174                11.9642
 AlphaG Fr= 1--     -0.4068                 0.0408                 1.3434
 Gamma2 Fr= 1--     -2.7248                 9.5174                -5.5010
 Delta2 Fr= 1--     -2.0258                -3.8319                15.4189
 Raman1 Fr= 1--     279.845                 94.033                465.554
 ROA1   Fr= 1--    -326.408                791.048                -34.695
 CID1   Fr= 1--      -1.166                  8.412                 -0.075
 Raman2 Fr= 1--      41.974                 39.808                143.570
 ROA2   Fr= 1--     -49.189                259.072               -255.376
 CID2   Fr= 1--      -1.172                  6.508                 -1.779
 Raman3 Fr= 1--      83.948                 79.617                287.140
 ROA3   Fr= 1--    -326.408                791.048                -34.695
 CID3   Fr= 1--      -3.888                  9.936                 -0.121
 RC180  Fr= 1--      -0.400                  0.693                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    124.8348                51.9586               103.1165
  Dep-P Fr= 1--      0.6543                 0.6999                 0.6766
  Dep-U Fr= 1--      0.7910                 0.8235                 0.8071
 Alpha2 Fr= 1--      0.2139                 0.0453                 0.1339
 Beta2  Fr= 1--     16.4583                 7.1312                13.8705
 AlphaG Fr= 1--      0.2764                 0.1457                 0.0911
 Gamma2 Fr= 1--     -3.4412                10.1010                -3.3279
 Delta2 Fr= 1--     -8.9759                 0.0905                -4.1515
 Raman1 Fr= 1--     499.339                207.834                412.466
 ROA1   Fr= 1--    -617.587                972.588               -452.331
 CID1   Fr= 1--      -1.237                  4.680                 -1.097
 Raman2 Fr= 1--     197.500                 85.574                166.446
 ROA2   Fr= 1--     -10.782                241.699                -46.659
 CID2   Fr= 1--      -0.055                  2.824                 -0.280
 Raman3 Fr= 1--     395.000                171.148                332.891
 ROA3   Fr= 1--    -617.587                972.588               -452.331
 CID3   Fr= 1--      -1.564                  5.683                 -1.359
 RC180  Fr= 1--       0.582                  0.647                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     26.5874                56.1690                52.8063
  Dep-P Fr= 1--      0.6799                 0.6883                 0.5889
  Dep-U Fr= 1--      0.8095                 0.8154                 0.7413
 Alpha2 Fr= 1--      0.0329                 0.0608                 0.1587
 Beta2  Fr= 1--      3.5870                 7.6330                 6.5239
 AlphaG Fr= 1--     -0.0063                -0.0444                 0.2571
 Gamma2 Fr= 1--      0.4266                -3.5225                 3.7369
 Delta2 Fr= 1--      1.8134                 3.2197                 0.4953
 Raman1 Fr= 1--     106.350                224.676                211.225
 ROA1   Fr= 1--      98.979               -235.132                374.595
 CID1   Fr= 1--       0.931                 -1.047                  1.773
 Raman2 Fr= 1--      43.044                 91.596                 78.286
 ROA2   Fr= 1--      -4.270               -110.298                 85.724
 CID2   Fr= 1--      -0.099                 -1.204                  1.095
 Raman3 Fr= 1--      86.087                183.191                156.572
 ROA3   Fr= 1--      98.979               -235.132                374.595
 CID3   Fr= 1--       1.150                 -1.284                  2.392
 RC180  Fr= 1--       0.619                  0.631                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    129.2165               127.4211               163.9934
  Dep-P Fr= 1--      0.1436                 0.1200                 0.2443
  Dep-U Fr= 1--      0.2511                 0.2143                 0.3927
 Alpha2 Fr= 1--      2.0303                 2.1237                 1.9749
 Beta2  Fr= 1--      5.4077                 4.5506                10.7321
 AlphaG Fr= 1--     -1.0760                 0.1899                -0.2343
 Gamma2 Fr= 1--     -6.9066                 5.7090                -5.4473
 Delta2 Fr= 1--     -2.7816                 1.2351                 0.2962
 Raman1 Fr= 1--     516.866                509.684                655.973
 ROA1   Fr= 1--    -752.042                587.586               -513.460
 CID1   Fr= 1--      -1.455                  1.153                 -0.783
 Raman2 Fr= 1--      64.892                 54.608                128.785
 ROA2   Fr= 1--    -143.505                127.134               -133.104
 CID2   Fr= 1--      -2.211                  2.328                 -1.034
 Raman3 Fr= 1--     129.784                109.215                257.570
 ROA3   Fr= 1--    -752.042                587.586               -513.460
 CID3   Fr= 1--      -5.795                  5.380                 -1.993
 RC180  Fr= 1--      -0.498                 -0.571                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.229019D+03  0.963054D+01  0.338514D+01
      2   0.963054D+01  0.147159D+03 -0.945034D+01
      3   0.338514D+01 -0.945034D+01  0.149483D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.438428D+01  0.353238D+01 -0.533301D+01
      2  -0.370218D+02 -0.200810D+01 -0.488474D+02
      3  -0.691102D+01  0.455072D+02 -0.473418D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.281913D+03 -0.311386D+02 -0.609218D+02
      2   0.135882D+03  0.350170D+02  0.375746D+02
      3   0.146030D+03 -0.387838D+01  0.233472D+02
      4   0.116497D+02 -0.886613D+02  0.892247D+01
      5  -0.113871D+02  0.103338D+02 -0.881514D+02
      6   0.144884D+02  0.367310D+02  0.197979D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883813D+01  0.157151D+01  0.147515D+01 -0.274201D+01 -0.252501D+00
      2   0.157151D+01 -0.805911D+00  0.581891D+00 -0.252501D+00 -0.391429D+01
      3   0.147515D+01  0.581891D+00 -0.328374D+01 -0.229955D+01  0.793705D+00
                 6             7             8             9            10 
      1  -0.229955D+01  0.136324D+02  0.218938D+00  0.127227D+01 -0.316825D+02
      2   0.793705D+00  0.218938D+00 -0.138879D+01  0.141735D+01 -0.175339D+01
      3   0.804430D+00  0.127227D+01  0.141735D+01  0.137283D+01 -0.281367D+01
                11            12            13            14            15 
      1  -0.175339D+01 -0.281367D+01 -0.357987D+01 -0.417930D+01 -0.207013D+01
      2  -0.187633D+01  0.715003D+00 -0.417930D+01 -0.220311D+01 -0.604591D+00
      3   0.715003D+00 -0.271667D+01 -0.207013D+01 -0.604591D+00 -0.158434D+01
                16            17            18            19            20 
      1  -0.634514D+01 -0.219371D+01 -0.213901D+01 -0.115790D+02 -0.240957D+01
      2  -0.219371D+01 -0.610237D+00 -0.759811D+00 -0.240957D+01  0.251396D+01
      3  -0.213901D+01 -0.759811D+00 -0.130239D+01 -0.174636D+01 -0.161061D+01
                21            22            23            24            25 
      1  -0.174636D+01 -0.108330D+02  0.660662D-01 -0.263326D+00  0.754506D+01
      2  -0.161061D+01  0.660662D-01 -0.241948D+01  0.112889D+01  0.232629D+01
      3   0.700939D+00 -0.263326D+00  0.112889D+01  0.280685D+01 -0.319585D+00
                26            27            28            29            30 
      1   0.232629D+01 -0.319585D+00  0.282793D+02  0.351811D+01  0.320806D+01
      2   0.719845D+00  0.157401D+01  0.351811D+01  0.213847D+01 -0.496708D-01
      3   0.157401D+01  0.266394D+01  0.320806D+01 -0.496708D-01  0.268015D+01
                31            32            33            34            35 
      1   0.281436D+01  0.410336D+01  0.248642D+01  0.314972D+01  0.270655D+01
      2   0.410336D+01  0.173100D+01  0.136500D+01  0.270655D+01  0.158937D+01
      3   0.248642D+01  0.136500D+01  0.112035D+01  0.265196D+01 -0.523488D+00
                36            37            38            39            40 
      1   0.265196D+01 -0.765112D+01 -0.149269D+01 -0.196447D+01  0.401228D+01
      2  -0.523488D+00 -0.149269D+01  0.355264D+00 -0.256685D-01  0.102468D+01
      3   0.105391D+01 -0.196447D+01 -0.256685D-01  0.299928D+01  0.181289D+01
                41            42            43            44            45 
      1   0.102468D+01  0.181289D+01 -0.134133D+02 -0.130322D+01 -0.117014D+01
      2   0.369872D+01 -0.101547D+01 -0.130322D+01  0.160691D-01 -0.780401D+00
      3  -0.101547D+01 -0.865794D+00 -0.117014D+01 -0.780401D+00 -0.181305D+01
                46            47            48            49            50 
      1   0.104584D+02  0.205204D+01  0.159940D+01  0.105341D+02 -0.619679D+00
      2   0.205204D+01 -0.153570D+01  0.781630D+00 -0.619679D+00  0.222047D+01
      3   0.159940D+01  0.781630D+00 -0.705538D-01  0.113305D+01 -0.162701D+01
                51            52            53            54            55 
      1   0.113305D+01 -0.730713D+01 -0.162401D+01  0.262839D+00  0.191337D+02
      2  -0.162701D+01 -0.162401D+01 -0.745422D+00 -0.133254D+01 -0.842376D+00
      3  -0.247323D+01  0.262839D+00 -0.133254D+01 -0.249323D+01  0.412591D+00
                56            57            58            59            60 
      1  -0.842376D+00  0.412591D+00 -0.390090D+01  0.495040D+01  0.800836D+00
      2   0.227873D+01  0.352910D+00  0.495040D+01  0.584925D+01 -0.233591D+00
      3   0.352910D+00  0.113754D+01  0.800836D+00 -0.233591D+00 -0.928678D+00
                61            62            63            64            65 
      1  -0.584577D+01  0.102034D+01  0.243040D+01 -0.417484D+01  0.400221D+01
      2   0.102034D+01 -0.157961D+01 -0.304085D+00  0.400221D+01 -0.196646D+01
      3   0.243040D+01 -0.304085D+00  0.606752D+01  0.866990D+00 -0.445896D+00
                66            67            68            69            70 
      1   0.866990D+00  0.115915D+02 -0.328139D+01 -0.337812D+00  0.829636D+01
      2  -0.445896D+00 -0.328139D+01 -0.451103D+01  0.407032D+00 -0.516526D+00
      3  -0.220048D+01 -0.337812D+00  0.407032D+00  0.177347D+01 -0.319112D+01
                71            72            73            74            75 
      1  -0.516526D+00 -0.319112D+01 -0.211944D+01 -0.352252D+01 -0.202733D+01
      2   0.122621D+01  0.177672D+01 -0.352252D+01  0.198122D+01  0.743595D+00
      3   0.177672D+01 -0.772510D+01 -0.202733D+01  0.743595D+00  0.285202D+01
                76            77            78            79            80 
      1  -0.564024D+01  0.358421D+01  0.959855D+00 -0.391697D+01  0.889333D+00
      2   0.358421D+01  0.583362D+01 -0.210442D+01  0.889333D+00 -0.230800D+01
      3   0.959855D+00 -0.210442D+01 -0.163598D+01  0.442910D+01 -0.127370D+01
                81            82            83            84            85 
      1   0.442910D+01 -0.345000D+01 -0.422595D+01 -0.276649D+01 -0.557809D+01
      2  -0.127370D+01 -0.422595D+01  0.199340D+01  0.893918D+00  0.224393D+01
      3   0.505792D+01 -0.276649D+01  0.893918D+00  0.184530D+01  0.844248D+00
                86            87            88            89            90 
      1   0.224393D+01  0.844248D+00 -0.410973D+01  0.962573D+00  0.276685D+01
      2   0.209877D+01 -0.128438D+01  0.962573D+00 -0.211000D+01 -0.321424D+01
      3  -0.128438D+01 -0.238891D+01  0.276685D+01 -0.321424D+01  0.485049D+01
                91            92            93            94            95 
      1  -0.566150D+01  0.518332D+00 -0.401873D+00  0.604491D+00 -0.487898D+01
      2   0.518332D+00 -0.212545D+01 -0.706259D+00 -0.487898D+01 -0.304879D+01
      3  -0.401873D+00 -0.706259D+00 -0.139136D+01 -0.256414D+01 -0.240188D+01
                96            97            98            99           100 
      1  -0.256414D+01  0.432988D+01 -0.190381D+01 -0.285165D+01 -0.244118D+01
      2  -0.240188D+01 -0.190381D+01 -0.921438D+00  0.283508D+01 -0.146966D+01
      3   0.181725D+01 -0.285165D+01  0.283508D+01 -0.186359D+01  0.107983D+01
               101           102           103           104           105 
      1  -0.146966D+01  0.107983D+01 -0.426900D+01  0.703110D+00  0.377219D+01
      2  -0.218637D+00  0.128381D+01  0.703110D+00  0.426171D+00 -0.288386D+00
      3   0.128381D+01  0.429114D+00  0.377219D+01 -0.288386D+00 -0.414345D+01
               106           107           108           109           110 
      1   0.211811D+01  0.153620D+01 -0.100784D+01  0.527754D+01  0.227709D+01
      2   0.153620D+01  0.749363D+00 -0.245013D+01  0.227709D+01  0.154400D+01
      3  -0.100784D+01 -0.245013D+01  0.185153D+01 -0.332774D+01 -0.914401D+00
               111           112           113           114           115 
      1  -0.332774D+01  0.597571D+01  0.175865D+01 -0.232055D+01 -0.806407D+01
      2  -0.914401D+00  0.175865D+01  0.418582D+01 -0.168262D+01 -0.937905D+00
      3   0.146808D+01 -0.232055D+01 -0.168262D+01  0.320690D+01  0.394692D+01
               116           117           118           119           120 
      1  -0.937905D+00  0.394692D+01 -0.892389D+00  0.549387D-01  0.232660D+01
      2  -0.306112D+01  0.223184D+01  0.549387D-01 -0.154407D+01 -0.176798D+01
      3   0.223184D+01 -0.693318D+01  0.232660D+01 -0.176798D+01 -0.169296D+01
               121           122           123           124           125 
      1  -0.231630D+01  0.376089D+00 -0.205452D+01  0.494999D+01 -0.332581D+01
      2   0.376089D+00 -0.446428D+01  0.168057D+01 -0.332581D+01  0.373988D+01
      3  -0.205452D+01  0.168057D+01  0.122754D+01 -0.158203D+01  0.720745D+00
               126           127           128           129           130 
      1  -0.158203D+01 -0.350087D+01 -0.188040D+01  0.178780D+01 -0.235270D+01
      2   0.720745D+00 -0.188040D+01 -0.186996D+01  0.140754D+01 -0.168064D+01
      3   0.304876D+01  0.178780D+01  0.140754D+01 -0.153580D+01  0.183961D+01
               131           132           133           134           135 
      1  -0.168064D+01  0.183961D+01  0.233224D+01  0.156185D+01 -0.196983D+01
      2  -0.237378D+01  0.190169D+01  0.156185D+01  0.256924D+01 -0.238227D+01
      3   0.190169D+01 -0.249181D+01 -0.196983D+01 -0.238227D+01  0.345686D+01
               136           137           138           139           140 
      1   0.203601D+01 -0.585984D+00  0.205647D+01 -0.715952D+00  0.370720D+00
      2  -0.585984D+00  0.462919D+00 -0.672274D+00  0.370720D+00 -0.126170D+01
      3   0.205647D+01 -0.672274D+00  0.234541D+01 -0.911496D+00  0.138748D+01
               141           142           143           144           145 
      1  -0.911496D+00  0.216940D+01 -0.119198D+01  0.257489D+01  0.379706D+01
      2   0.138748D+01 -0.119198D+01  0.198488D+01 -0.271324D+01  0.144637D+01
      3  -0.310521D+01  0.257489D+01 -0.271324D+01  0.671388D+01 -0.147712D+01
               146           147           148           149           150 
      1   0.144637D+01 -0.147712D+01  0.195878D+01  0.118188D+01 -0.145198D+01
      2   0.126967D+01 -0.820735D+00  0.118188D+01  0.152529D+01 -0.131461D+01
      3  -0.820735D+00  0.135411D+01 -0.145198D+01 -0.131461D+01  0.208140D+01
               151           152           153           154           155 
      1  -0.218869D+01 -0.129619D+01  0.183358D+01 -0.183484D+01  0.574164D+00
      2  -0.129619D+01 -0.198648D+01  0.179843D+01  0.574164D+00 -0.302501D+00
      3   0.183358D+01  0.179843D+01 -0.327604D+01 -0.184327D+01  0.473116D+00
               156           157           158           159           160 
      1  -0.184327D+01  0.382227D+00 -0.278761D+00  0.668774D+00 -0.252963D+01
      2   0.473116D+00 -0.278761D+00  0.863400D+00 -0.110698D+01  0.106852D+01
      3  -0.216337D+01  0.668774D+00 -0.110698D+01  0.275270D+01 -0.253061D+01
               161           162           163           164           165 
      1   0.106852D+01 -0.253061D+01 -0.337698D+01 -0.157408D+01  0.184217D+00
      2  -0.157075D+01  0.215174D+01 -0.157408D+01 -0.170801D+01 -0.260889D+00
      3   0.215174D+01 -0.665226D+01  0.184217D+00 -0.260889D+00 -0.251783D+00
               166           167           168           169           170 
      1  -0.468951D+01 -0.323717D+01 -0.469503D+00  0.408049D+01  0.383855D+00
      2  -0.323717D+01 -0.837487D+01 -0.440147D+00  0.383855D+00  0.109944D+01
      3  -0.469503D+00 -0.440147D+00 -0.836910D+00 -0.478648D+00 -0.830865D+00
               171           172           173           174           175 
      1  -0.478648D+00 -0.103602D+01  0.288036D+00 -0.120858D+01  0.252974D+01
      2  -0.830865D+00  0.288036D+00 -0.499856D+00 -0.194076D+00 -0.681859D+00
      3  -0.282221D+00 -0.120858D+01 -0.194076D+00 -0.125173D+01  0.339182D+00
               176           177           178           179           180 
      1  -0.681859D+00  0.339182D+00 -0.339917D+01 -0.178069D+00 -0.209950D+01
      2  -0.367490D+00 -0.708500D+00 -0.178069D+00 -0.113118D+01 -0.789215D+00
      3  -0.708500D+00  0.874120D+00 -0.209950D+01 -0.789215D+00 -0.696231D+01
               181           182           183           184           185 
      1   0.116379D+01 -0.103662D+01  0.100899D+01 -0.209973D+01  0.304771D+00
      2  -0.103662D+01  0.417519D+00  0.578167D-01  0.304771D+00  0.402891D-01
      3   0.100899D+01  0.578167D-01  0.709137D+00 -0.117336D+00  0.862575D+00
               186           187           188           189           190 
      1  -0.117336D+00  0.224834D+01 -0.411727D-01  0.338854D+00 -0.985097D+00
      2   0.862575D+00 -0.411727D-01  0.138343D+01 -0.819079D+00 -0.117556D+01
      3  -0.863669D+00  0.338854D+00 -0.819079D+00  0.719301D+01  0.436448D+00
               191           192           193           194           195 
      1  -0.117556D+01  0.436448D+00 -0.368663D+01 -0.345671D+01  0.366205D+00
      2  -0.131885D+01  0.156826D+00 -0.345671D+01 -0.808128D+01  0.111770D+01
      3   0.156826D+00 -0.486251D+00  0.366205D+00  0.111770D+01 -0.123009D+01
               196           197           198           199           200 
      1   0.120240D+01  0.495747D+00 -0.110056D+01 -0.174754D+01  0.305167D+00
      2   0.495747D+00  0.154330D+01 -0.926907D+00  0.305167D+00 -0.435209D+00
      3  -0.110056D+01 -0.926907D+00  0.267536D+00 -0.118346D+01 -0.235115D-01
               201           202           203           204           205 
      1  -0.118346D+01  0.117335D+01 -0.904875D+00  0.282579D+00 -0.423307D+01
      2  -0.235115D-01 -0.904875D+00 -0.249433D+00 -0.577596D+00 -0.264084D+00
      3  -0.147919D+01  0.282579D+00 -0.577596D+00  0.786865D+00 -0.339267D+01
               206           207           208           209           210 
      1  -0.264084D+00 -0.339267D+01 -0.731154D+01  0.200378D+01  0.237026D+01
      2  -0.126061D+01  0.169781D+00  0.200378D+01 -0.152908D+01 -0.767732D+00
      3   0.169781D+00 -0.662340D+01  0.237026D+01 -0.767732D+00 -0.180763D+01
               211           212           213           214           215 
      1   0.536482D+01 -0.227958D+01 -0.129931D+01  0.517868D+01 -0.102222D+01
      2  -0.227958D+01  0.139637D+01  0.110526D+01 -0.102222D+01  0.150115D+01
      3  -0.129931D+01  0.110526D+01  0.140059D+01 -0.280281D+01  0.958854D+00
               216           217           218           219           220 
      1  -0.280281D+01 -0.428446D+01  0.322789D+01  0.171808D+01  0.273530D+01
      2   0.958854D+00  0.322789D+01 -0.337894D+01 -0.115666D+01 -0.296500D+01
      3   0.175002D+01  0.171808D+01 -0.115666D+01 -0.151435D+01 -0.116144D+01
               221           222           223           224           225 
      1  -0.296500D+01 -0.116144D+01  0.302999D+01 -0.191655D+01 -0.188750D+01
      2   0.408713D+01  0.167554D+01 -0.191655D+01  0.295376D+01  0.202286D+01
      3   0.167554D+01  0.144991D+01 -0.188750D+01  0.202286D+01  0.169689D+01
               226           227           228           229           230 
      1  -0.459587D+00  0.882661D+00 -0.709446D+00  0.726257D+00 -0.562137D+00
      2   0.882661D+00 -0.769304D+00  0.241300D+00 -0.562137D+00  0.118202D+01
      3  -0.709446D+00  0.241300D+00 -0.109086D+01  0.167627D+00 -0.947673D+00
               231           232           233           234           235 
      1   0.167627D+00 -0.194744D+01  0.728787D+00 -0.148204D+01  0.816515D+01
      2  -0.947673D+00  0.728787D+00 -0.262663D+01  0.234226D+01  0.115471D+01
      3   0.113788D+01 -0.148204D+01  0.234226D+01 -0.616078D+01  0.111139D+01
               236           237           238           239           240 
      1   0.115471D+01  0.111139D+01  0.106461D+01  0.130638D+01  0.185795D+00
      2   0.260744D+01  0.324981D+00  0.130638D+01  0.141549D+01  0.407953D+00
      3   0.324981D+00  0.787402D+00  0.185795D+00  0.407953D+00  0.725074D+00
               241           242           243           244           245 
      1   0.114085D+01  0.322551D+00  0.284891D+00 -0.296678D+00 -0.108463D+01
      2   0.322551D+00  0.806085D+00  0.879070D+00 -0.108463D+01  0.596451D+00
      3   0.284891D+00  0.879070D+00  0.161355D+00  0.115766D+01 -0.215991D+00
               246           247           248           249           250 
      1   0.115766D+01 -0.214083D+01  0.926464D+00 -0.423188D+00  0.227956D+01
      2  -0.215991D+00  0.926464D+00 -0.144301D+01  0.143620D+01 -0.171829D+00
      3   0.110191D+01 -0.423188D+00  0.143620D+01 -0.199411D+01  0.195413D+01
               251           252           253           254           255 
      1  -0.171829D+00  0.195413D+01 -0.762230D+01 -0.389990D+01 -0.408117D+01
      2   0.190822D+01 -0.149148D+01 -0.389990D+01  0.907534D+00  0.357634D+00
      3  -0.149148D+01  0.525072D+01 -0.408117D+01  0.357634D+00  0.165521D+01
               256           257           258           259           260 
      1   0.158489D+01  0.338674D+01  0.110611D+01 -0.371237D+01  0.560918D+00
      2   0.338674D+01  0.333453D+01  0.208109D+01  0.560918D+00  0.140849D+01
      3   0.110611D+01  0.208109D+01 -0.191578D+01  0.193749D+01 -0.306737D+01
               261           262           263           264           265 
      1   0.193749D+01  0.417675D+01 -0.292977D+01 -0.188395D+01 -0.187082D+01
      2  -0.306737D+01 -0.292977D+01  0.271421D+01  0.130995D+01  0.204961D+01
      3   0.196123D-01 -0.188395D+01  0.130995D+01  0.173399D+01  0.102270D+01
               266           267           268           269           270 
      1   0.204961D+01  0.102270D+01 -0.393957D+01  0.306106D+01  0.298588D+01
      2  -0.320892D+01 -0.116494D+01  0.306106D+01 -0.355851D+01 -0.254962D+01
      3  -0.116494D+01 -0.133109D+01  0.298588D+01 -0.254962D+01 -0.316264D+01
               271           272           273           274           275 
      1  -0.152137D+01  0.110666D+01  0.160320D+01  0.555338D+00 -0.782208D+00
      2   0.110666D+01 -0.222487D+01 -0.147623D+01 -0.782208D+00  0.177584D+01
      3   0.160320D+01 -0.147623D+01 -0.231299D+01 -0.522712D+00  0.123567D+01
               276           277           278           279           280 
      1  -0.522712D+00  0.210723D+01 -0.467194D+00 -0.105360D+01  0.321512D+00
      2   0.123567D+01 -0.467194D+00  0.242774D+01  0.260707D+01  0.643770D+00
      3   0.154213D+01 -0.105360D+01  0.260707D+01  0.421885D+01 -0.259143D+00
               281           282           283           284           285 
      1   0.643770D+00 -0.259143D+00  0.918194D+00  0.399124D-01 -0.427643D-01
      2  -0.716221D+00  0.788693D-01  0.399124D-01  0.306522D+01 -0.154510D+01
      3   0.788693D-01 -0.449180D+00 -0.427643D-01 -0.154510D+01  0.180555D+01
               286           287           288           289           290 
      1  -0.173613D+01 -0.546949D+00 -0.401693D+00  0.119819D+02  0.425567D+01
      2  -0.546949D+00 -0.356886D+01  0.156001D+01  0.425567D+01  0.304457D+01
      3  -0.401693D+00  0.156001D+01 -0.285548D+01  0.329094D+01  0.134780D+01
               291           292           293           294           295 
      1   0.329094D+01  0.188967D+01  0.166383D+01  0.521683D+00  0.289755D+01
      2   0.134780D+01  0.166383D+01  0.119207D+01  0.461555D+00  0.105772D+01
      3   0.189932D+01  0.521683D+00  0.461555D+00  0.476029D+00  0.179079D+01
               296           297 
      1   0.105772D+01  0.179079D+01
      2   0.801181D+00  0.116262D+01
      3   0.116262D+01  0.141006D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.232951D+01 -0.728279D+00 -0.230138D+01 -0.706021D+01 -0.131259D+01
      2   0.238316D+01 -0.199908D+01  0.222165D+01 -0.618621D+01  0.166884D+01
      3  -0.657151D+01 -0.351525D+01  0.145120D-01  0.108031D+02 -0.990188D+00
                 6             7             8             9            10 
      1  -0.360970D+01 -0.448391D+01  0.244536D+01 -0.706652D+00 -0.994415D+00
      2  -0.141621D+01 -0.494014D+01 -0.128618D+01 -0.279607D-01  0.463505D+01
      3   0.313594D+01 -0.353101D+01 -0.153438D+01  0.329380D+01  0.132755D+02
                11            12            13            14            15 
      1  -0.190066D+01  0.143447D+01 -0.542985D+01  0.478942D+01 -0.690183D+01
      2   0.101926D+01 -0.370733D+01  0.716533D+01  0.283336D+01 -0.249325D+01
      3   0.181145D+01  0.995460D+00  0.151124D+02  0.135911D+01  0.116875D+01
                16            17            18            19            20 
      1   0.719884D+01  0.577777D+00 -0.543806D+01 -0.221567D+01  0.129979D+01
      2  -0.214338D+02 -0.223562D+01  0.110305D+01  0.139286D+01 -0.208977D+01
      3  -0.394080D+01  0.121199D+01 -0.119972D+01  0.230961D+01 -0.766570D+00
                21            22            23            24            25 
      1  -0.883052D+00  0.404625D+01  0.122977D+01  0.151616D+00  0.323110D+01
      2   0.809519D+01  0.299545D+01 -0.303634D+01  0.344752D+01 -0.891869D+01
      3   0.314989D+01  0.126558D+02  0.314279D+01  0.586905D+00  0.242530D+01
                26            27            28            29            30 
      1   0.306369D+01  0.361065D+01  0.145093D+01 -0.187966D+01  0.465870D+01
      2   0.455193D-01 -0.109017D+00 -0.483060D+01  0.723956D+00 -0.350705D+01
      3   0.752049D-01 -0.228122D+01 -0.127695D+02 -0.112529D+01 -0.271733D+01
                31            32            33            34            35 
      1  -0.134524D+01  0.513679D+01 -0.573247D+01  0.876396D+01  0.237758D+01
      2   0.686239D+01  0.274153D+01 -0.428353D+01 -0.209728D+02 -0.641519D+01
      3   0.143564D+02  0.138614D+01 -0.151483D+01 -0.101763D+02 -0.300035D+00
                36            37            38            39            40 
      1  -0.388029D+01  0.894909D+00 -0.119930D+01  0.466451D+00 -0.509547D+01
      2  -0.395774D+01  0.678354D+01 -0.842323D+00  0.311413D+01 -0.758636D+01
      3  -0.114304D+01  0.239496D+01 -0.188569D+01  0.256801D+01  0.920260D+01
                41            42            43            44            45 
      1  -0.236635D+01 -0.340375D+01 -0.406576D+01  0.133814D+01 -0.269089D+01
      2   0.106014D+01 -0.220155D+01  0.201897D+00 -0.272869D+00  0.478048D+00
      3  -0.536667D+00  0.280151D+01  0.881699D+01  0.759516D+00  0.481693D+01
                46            47            48            49            50 
      1  -0.718657D+00  0.260469D+01 -0.135192D+01  0.627730D+01  0.536992D+00
      2  -0.298845D+01 -0.338254D+01  0.800352D+01 -0.557572D+01 -0.323504D+01
      3  -0.115461D+02 -0.321177D+01  0.196136D+01  0.696770D+01  0.149692D+01
                51            52            53            54            55 
      1  -0.193862D+01  0.286306D+01  0.238451D+01  0.880682D+00 -0.186148D+01
      2   0.461976D+01 -0.541679D+01  0.609717D+00 -0.129943D+01  0.344730D+01
      3  -0.123815D+01  0.933606D+01  0.101967D+01 -0.191121D+01 -0.153272D+02
                56            57            58            59            60 
      1   0.582426D+00 -0.265386D+00  0.213670D+00 -0.681852D+01 -0.254604D+01
      2  -0.120074D+01  0.115068D+01 -0.267053D+01  0.572775D+01  0.332963D+01
      3   0.540768D+01  0.123978D+01  0.271935D+02  0.139663D+02 -0.108361D+01
                61            62            63            64            65 
      1   0.798749D+00  0.190147D+01  0.663987D+01  0.221187D+01 -0.365889D+00
      2  -0.192384D+02  0.262825D+01 -0.222966D+02 -0.898023D+01  0.200157D+01
      3   0.874427D+01 -0.558685D+01 -0.462985D+01  0.245788D+02 -0.121522D+02
                66            67            68            69            70 
      1   0.848020D+00  0.111122D+01 -0.533484D+00 -0.258619D+01 -0.105577D+01
      2   0.111452D+02  0.389253D+01 -0.405945D+01 -0.628736D+01  0.117993D+02
      3  -0.187423D+01 -0.131659D+02 -0.175695D+02  0.195783D+01 -0.815474D+01
                71            72            73            74            75 
      1   0.371179D+01  0.142036D+01 -0.839830D+00 -0.407901D+00  0.124727D+01
      2  -0.896310D+01  0.359226D+02  0.134898D+02 -0.410189D+01 -0.148958D+02
      3   0.473753D+01  0.896606D+01 -0.182996D+02  0.118773D+02  0.535830D+01
                76            77            78            79            80 
      1  -0.120361D+01 -0.199501D+01 -0.187991D+01  0.211978D+01  0.131691D+01
      2  -0.565611D+01  0.135038D+02  0.811499D+01 -0.300290D+02  0.696521D+01
      3   0.284450D+02  0.334760D+02 -0.127864D+02  0.684255D+01 -0.134604D+02
                81            82            83            84            85 
      1   0.212344D+01  0.525291D+01 -0.190349D+01 -0.426496D+01 -0.227098D+01
      2  -0.291655D+02  0.102297D+02 -0.439808D+01 -0.542325D+01 -0.499389D+01
      3  -0.100274D+02 -0.281467D+02 -0.475481D+01 -0.177945D+01  0.789278D+00
                86            87            88            89            90 
      1   0.531409D+01  0.388613D+01 -0.658875D+01  0.960290D+01 -0.945406D+01
      2   0.496869D+01  0.918934D+01 -0.132587D+02  0.122864D+02 -0.191050D+02
      3   0.114600D+02 -0.312907D+01 -0.181693D+01 -0.552190D+01 -0.888255D+01
                91            92            93            94            95 
      1  -0.145782D+01 -0.226201D+01  0.690411D+00 -0.384598D+01 -0.155982D+01
      2   0.101530D+02 -0.176247D+01  0.102463D+01 -0.896453D+01 -0.415108D+01
      3  -0.642165D+01  0.141081D+01  0.190278D+01  0.234692D+02  0.855122D+01
                96            97            98            99           100 
      1  -0.646676D+01  0.349256D+01  0.215274D+01  0.409754D+01  0.196411D+01
      2   0.884249D+01 -0.235834D+02  0.104676D+02 -0.447809D+01 -0.184542D+02
      3   0.764383D+01  0.872448D+01  0.485034D+01 -0.104254D+02  0.147852D+02
               101           102           103           104           105 
      1   0.767814D+01 -0.107507D+01  0.200710D+01  0.663749D+01  0.268832D+01
      2   0.699190D+01  0.455558D+01  0.121532D+02 -0.197893D+00 -0.115384D+02
      3  -0.426078D+01 -0.476377D+01 -0.184946D+01 -0.412394D+01 -0.219019D+01
               106           107           108           109           110 
      1  -0.277884D+01 -0.607397D+00 -0.355289D+01 -0.187024D+01 -0.490264D+01
      2  -0.728912D+01 -0.851769D+01  0.191265D+02 -0.527693D+01 -0.343653D+01
      3   0.260145D+00 -0.151123D+02  0.704223D+01 -0.984189D+01 -0.933424D+01
               111           112           113           114           115 
      1  -0.844507D+00 -0.643654D+00 -0.600122D+01 -0.335304D+01 -0.577185D+00
      2   0.828615D+01 -0.774062D+01 -0.788647D+01  0.118388D+02  0.103638D+02
      3   0.354149D+01 -0.915740D+00 -0.166691D+02  0.652427D+01 -0.468300D+01
               116           117           118           119           120 
      1   0.901119D+01  0.862952D+00  0.294348D+01 -0.925422D+00 -0.616952D+00
      2   0.100526D+02 -0.312367D+02  0.108705D+02 -0.779697D+01 -0.364344D+01
      3   0.167028D+02 -0.811680D+01 -0.562797D+00  0.353126D+01  0.443536D+01
               121           122           123           124           125 
      1   0.150316D+01  0.671278D+00 -0.669035D+01 -0.298832D+01  0.275222D+01
      2  -0.369918D+01  0.608252D+01  0.188642D+01 -0.685088D+01  0.236877D+01
      3   0.382772D+01  0.188251D+02 -0.558672D+01  0.832672D+01 -0.104558D+02
               126           127           128           129           130 
      1   0.592892D+01  0.351962D+00 -0.197941D+01 -0.105523D+01  0.906172D+00
      2   0.117748D+02  0.552203D+01  0.105341D+01  0.227025D+00  0.182345D+01
      3   0.179807D+00  0.456119D+01 -0.635733D+00 -0.797099D+00  0.435841D+01
               131           132           133           134           135 
      1  -0.377301D+00 -0.342794D+01 -0.577265D+00  0.206564D+01  0.179748D+01
      2   0.472838D+00  0.579019D+00 -0.310806D+01 -0.721907D-01 -0.162334D+01
      3  -0.129919D+01 -0.510033D+00 -0.173059D+01  0.175488D+01  0.680337D-01
               136           137           138           139           140 
      1   0.148882D+01  0.115981D+01  0.220976D+01 -0.476212D+00 -0.829029D+00
      2  -0.362315D+01  0.151389D+00 -0.568354D+00  0.435629D+00  0.613444D-01
      3  -0.329343D+01 -0.449462D+00 -0.165025D+01  0.166960D+01  0.744284D+00
               141           142           143           144           145 
      1  -0.292191D+01  0.504576D+00  0.340268D+01  0.241342D+01 -0.123027D+01
      2  -0.119036D+01 -0.479162D+01  0.139388D+00  0.109579D+01  0.685270D+01
      3   0.600995D+00 -0.259340D+01 -0.813829D+00 -0.161514D+01  0.357724D+01
               146           147           148           149           150 
      1  -0.274784D+01 -0.442608D+00 -0.819272D+00 -0.143513D+01 -0.208842D+01
      2   0.135423D+01 -0.271397D+00  0.340005D+01  0.659474D+00  0.551905D+00
      3  -0.851320D+00 -0.452618D+00  0.304072D+01 -0.108611D+01  0.131704D-01
               151           152           153           154           155 
      1   0.299056D+00  0.283573D+01  0.317175D+00 -0.352422D+00  0.148934D+01
      2  -0.267629D+01 -0.378658D+00 -0.118066D+01 -0.407624D+01  0.500312D+00
      3  -0.803523D+00  0.231156D+01 -0.201564D+00 -0.135308D+01 -0.508375D+00
               156           157           158           159           160 
      1   0.604657D+00  0.852646D-01 -0.134284D+01 -0.103541D+01 -0.152063D+01
      2  -0.324841D+00  0.401940D+00  0.191129D+00 -0.140176D+01 -0.527763D+01
      3  -0.243800D+00  0.121364D+01  0.639446D+00 -0.193659D+00 -0.720129D+00
               161           162           163           164           165 
      1   0.468618D+01 -0.121175D+01  0.110803D+01  0.104160D+01 -0.963863D+00
      2   0.227657D+00  0.192578D+01 -0.360648D+01 -0.500367D+00  0.210627D+01
      3  -0.149732D+01  0.262834D-01 -0.133331D+01 -0.529482D+01 -0.871965D+00
               166           167           168           169           170 
      1   0.145697D+01  0.565191D+01 -0.330010D+01 -0.927875D+00 -0.850313D+00
      2  -0.160746D+01 -0.221159D+01  0.295657D+01  0.128534D+01  0.243536D+01
      3  -0.220999D+01 -0.230082D+02 -0.133184D+01 -0.267657D+01  0.336875D+01
               171           172           173           174           175 
      1   0.111511D+00 -0.159702D+01  0.629070D+00 -0.972154D+00 -0.124254D+00
      2   0.124954D+01  0.415551D+01  0.767127D+00  0.503747D+01  0.117645D+01
      3  -0.149544D+01  0.279127D+01 -0.280796D+01  0.676194D+00 -0.191027D+01
               176           177           178           179           180 
      1  -0.550015D+00  0.246065D-01 -0.175440D+01  0.326881D+01 -0.733860D+01
      2   0.133732D+01 -0.314995D+01  0.850180D-01  0.213543D+01  0.211048D+02
      3  -0.561046D+00 -0.212605D+01  0.240400D+01 -0.395580D+01  0.638203D+00
               181           182           183           184           185 
      1  -0.186274D+01  0.921459D+00 -0.129881D+00  0.435200D+00 -0.136542D+00
      2  -0.734238D+01  0.706793D+00 -0.336220D+01  0.248005D+01 -0.403787D+01
      3  -0.496169D+01  0.143155D+01 -0.202912D+00  0.414500D+01  0.110098D+00
               186           187           188           189           190 
      1  -0.700760D+00 -0.828570D+00  0.357482D+01 -0.111626D+01  0.134696D+00
      2   0.411314D+01 -0.764969D+01  0.399271D+01 -0.305520D+02 -0.260762D+01
      3   0.366503D+01 -0.885212D+00  0.543540D+01 -0.364610D+01 -0.642391D+01
               191           192           193           194           195 
      1   0.726047D-01 -0.635269D+00  0.322600D+00  0.400220D+00 -0.356581D+01
      2  -0.786674D+00  0.322480D+01 -0.174577D+01 -0.688973D+01  0.786683D+01
      3  -0.797427D+01  0.557591D+00 -0.129953D+02 -0.440654D+02  0.624885D+01
               196           197           198           199           200 
      1  -0.563230D+00  0.486470D+00  0.431174D+00 -0.697719D+00  0.454519D+00
      2   0.446190D+01  0.493893D+01 -0.130705D+01  0.694407D+01  0.209195D+00
      3   0.162860D+01  0.868085D+01 -0.408619D+01  0.253776D+01 -0.350894D+01
               201           202           203           204           205 
      1  -0.904299D+00  0.154294D+00 -0.418147D+00 -0.546672D+00 -0.116757D+01
      2   0.970811D+01 -0.929018D+00  0.286422D+01 -0.452088D+01  0.147708D+02
      3   0.489928D+00 -0.380195D+01 -0.819923D+00 -0.289666D+01  0.494146D+00
               206           207           208           209           210 
      1   0.322855D+01 -0.277052D+01  0.845796D+00 -0.970771D+00  0.128487D-01
      2  -0.134517D+01  0.381020D+02 -0.128740D+02  0.430158D+01  0.128817D+02
      3  -0.786270D+01  0.324414D+01  0.138306D+02 -0.122517D+02 -0.554061D+01
               211           212           213           214           215 
      1  -0.327856D+00  0.100284D+01 -0.670829D+00 -0.473405D+00  0.190338D+01
      2   0.666981D+01 -0.638532D+01 -0.919171D+01  0.139242D+02 -0.561174D+01
      3  -0.128996D+02  0.980053D+01  0.693704D+01 -0.727355D+01  0.102402D+02
               216           217           218           219           220 
      1   0.990944D-01 -0.363707D+01  0.176826D+01  0.475887D+01  0.288913D+01
      2  -0.103633D+02 -0.638485D+01  0.468259D+01  0.764802D+01  0.404533D+01
      3   0.669042D+01  0.491405D+01 -0.102935D+02 -0.152866D+01 -0.323044D+01
               221           222           223           224           225 
      1  -0.302889D+01 -0.469115D+01  0.409491D+01 -0.222702D+01 -0.384403D+01
      2  -0.652906D+01 -0.677085D+01  0.585065D+01 -0.793771D+01 -0.704336D+01
      3   0.118367D+02  0.424426D+01 -0.109227D+01  0.936390D+01  0.502857D+01
               226           227           228           229           230 
      1   0.139363D+01 -0.294169D-01  0.231495D+01 -0.477521D+00  0.154237D+01
      2   0.280938D+01 -0.980436D+00  0.467443D+01 -0.267909D+00  0.319008D+01
      3   0.365724D+01 -0.265196D+01  0.218067D+00  0.480557D+00  0.348454D+01
               231           232           233           234           235 
      1  -0.395585D+01  0.266399D+01 -0.106474D+01  0.132847D+02 -0.108510D+01
      2  -0.395935D+01  0.148374D+01 -0.855292D+01  0.234593D+02 -0.403182D+01
      3  -0.304682D+01 -0.142884D+01 -0.101517D+02  0.757521D+01  0.264542D+02
               236           237           238           239           240 
      1  -0.393362D+00 -0.269718D+01  0.472915D-01 -0.851795D+00 -0.201568D+01
      2  -0.970295D+00 -0.150661D+01 -0.430609D+00 -0.154439D+01 -0.130122D+01
      3   0.104027D+02  0.361049D+01  0.101410D+02  0.655030D+01  0.215667D+01
               241           242           243           244           245 
      1  -0.186899D+01  0.113625D-01 -0.337997D-01 -0.184519D+01  0.878693D+00
      2  -0.398433D+01 -0.255128D+01 -0.282127D+00  0.447857D+01  0.485717D+00
      3   0.327593D+01  0.334353D+01  0.397960D+01  0.401888D+01 -0.247758D+01
               246           247           248           249           250 
      1  -0.699404D+00  0.551123D+00 -0.274813D+01  0.521274D+00 -0.104622D+01
      2   0.343320D+01  0.178635D+01  0.394510D+01 -0.589544D+01  0.112291D+01
      3   0.109957D+01 -0.102737D+00  0.451283D+01 -0.458547D+01 -0.138455D+00
               251           252           253           254           255 
      1   0.463948D+01 -0.240758D+01  0.362999D+01  0.127375D+01 -0.495277D+01
      2  -0.499908D+01  0.141767D+02 -0.596341D+01  0.441454D+01  0.124057D+02
      3  -0.628148D+01  0.553604D+01 -0.321703D+01 -0.141200D+02 -0.951495D+01
               256           257           258           259           260 
      1   0.305844D+01 -0.741942D+00  0.725988D+01 -0.295615D+01  0.123766D+02
      2   0.234551D+01  0.424666D+01 -0.895163D+01  0.918810D+01 -0.113607D+02
      3  -0.141981D+02 -0.791793D+01 -0.683408D+01 -0.814471D+01 -0.461525D+01
               261           262           263           264           265 
      1  -0.390441D+01 -0.218775D+01  0.599651D+00  0.301401D+01  0.229976D+01
      2  -0.112248D+01 -0.594344D+01  0.524242D+01  0.690253D+01  0.371687D+01
      3   0.142990D+02  0.601697D+01 -0.859974D+01 -0.269825D+01 -0.412572D+01
               266           267           268           269           270 
      1  -0.189966D+01 -0.263519D+01  0.309285D+01 -0.958114D+00 -0.444729D+01
      2  -0.496676D+01 -0.570817D+01  0.962922D+01 -0.979095D+01 -0.134388D+02
      3   0.988547D+01  0.306980D+01 -0.693225D+01  0.122724D+02  0.717663D+01
               271           272           273           274           275 
      1  -0.241196D+01 -0.114525D+01  0.417402D+01 -0.468233D+00 -0.496626D+00
      2   0.836058D+01 -0.521670D+01 -0.808882D+01 -0.229350D+01  0.496228D+01
      3  -0.855223D+01  0.763829D+01  0.767288D+01  0.549163D+01 -0.660909D+01
               276           277           278           279           280 
      1  -0.321553D+01  0.260172D+01 -0.391021D+00 -0.583033D+01  0.225287D+01
      2   0.510489D+01 -0.802409D+01  0.820262D+01  0.132847D+02 -0.186766D+01
      3  -0.518439D+01  0.660844D+01 -0.809266D+01 -0.111319D+02 -0.318490D+01
               281           282           283           284           285 
      1  -0.713409D+00  0.201543D+01 -0.655532D-01  0.666654D+01 -0.729731D+01
      2  -0.215017D+00 -0.140293D+01 -0.854135D+00 -0.494032D+01  0.559075D+01
      3   0.265828D+01 -0.132212D+01  0.285982D+01 -0.949089D+01  0.518659D+01
               286           287           288           289           290 
      1   0.157592D+01 -0.501275D+01  0.111152D+02 -0.138816D+01  0.200089D+01
      2  -0.295361D+01  0.539137D+01 -0.914250D+01 -0.196440D+01  0.350403D+00
      3  -0.339190D+01  0.106477D+02 -0.668500D+01  0.728768D+01 -0.631562D+01
               291           292           293           294           295 
      1  -0.339398D+01  0.597007D+00  0.586829D+00 -0.209658D+01 -0.226271D+01
      2   0.559795D+01 -0.148789D+00 -0.445742D+00  0.222966D+01  0.172292D+01
      3   0.119201D+01 -0.310690D+00 -0.166610D+01 -0.819106D-02  0.222656D+01
               296           297 
      1  -0.426555D+00 -0.123243D+01
      2   0.258898D+01  0.323271D+01
      3  -0.153393D+01 -0.108242D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.636434D+01 -0.101986D+02  0.189505D+02  0.143049D+02 -0.139585D+02
      2  -0.406776D+01  0.312278D+01 -0.170519D+01 -0.901525D+00  0.212395D+02
      3   0.104321D+02  0.707582D+01 -0.172454D+02 -0.134034D+02 -0.728102D+01
      4  -0.994731D+01 -0.561144D+01  0.830649D+01  0.148241D+01  0.137959D+00
      5   0.775160D+01  0.649697D+01  0.363213D+01  0.896559D+01  0.302995D+01
      6   0.576809D+01 -0.238836D+01  0.257858D+01  0.644134D+01  0.278135D+00
                 6             7             8             9            10 
      1   0.307432D+01 -0.356229D+02 -0.134067D+02  0.622516D+01  0.596251D+02
      2  -0.515147D+01  0.124971D+02  0.789425D+01 -0.876954D+01 -0.231021D+02
      3   0.207715D+01  0.231257D+02  0.551248D+01  0.254438D+01 -0.365230D+02
      4   0.370902D+01 -0.313955D+01  0.152237D+01 -0.564730D+01  0.257745D+01
      5  -0.724592D+01  0.577905D+01 -0.673789D+01  0.281880D+01  0.479963D+01
      6   0.653970D+00 -0.109560D+02 -0.676181D+01  0.695432D+01  0.256282D+01
                11            12            13            14            15 
      1   0.118819D+01  0.577923D+01 -0.478300D+01 -0.525051D+01  0.779295D+01
      2   0.165255D+01 -0.555629D+01  0.416379D+01  0.654919D+01 -0.358584D+01
      3  -0.284074D+01 -0.222943D+00  0.619212D+00 -0.129868D+01 -0.420711D+01
      4   0.185641D+01 -0.458255D+01  0.956062D+01  0.322512D+01  0.718306D+00
      5  -0.459479D+01  0.324389D+01  0.122687D+02 -0.854677D-01  0.153079D+01
      6  -0.160535D+01  0.310066D+01  0.455859D+01  0.342008D+01  0.108690D+02
                16            17            18            19            20 
      1   0.800991D+01  0.101416D+02 -0.128227D+02  0.124228D+02  0.174170D+02
      2   0.214864D+01  0.470634D+01  0.227116D+01  0.285193D+01 -0.134840D+02
      3  -0.101585D+02 -0.148480D+02  0.105515D+02 -0.152747D+02 -0.393304D+01
      4   0.184733D+02  0.684282D+00 -0.358951D+00  0.307028D+01  0.353472D+01
      5  -0.617772D+01  0.170317D+00  0.418156D+01 -0.129141D+02  0.196122D+01
      6   0.496813D+01  0.570162D+01 -0.414159D+01 -0.275151D+01  0.424935D+01
                21            22            23            24            25 
      1  -0.158780D+02 -0.123569D+02 -0.337216D+01 -0.150419D+02  0.153040D+02
      2   0.113401D+02  0.293494D+01  0.110428D+02 -0.606577D+01 -0.434792D+01
      3   0.453793D+01  0.942194D+01 -0.767063D+01  0.211077D+02 -0.109560D+02
      4   0.384241D+00  0.122967D+02 -0.582256D+01 -0.813088D+00  0.285868D+01
      5  -0.105376D+02 -0.110085D+01 -0.725713D+00  0.743190D-01  0.709397D+01
      6  -0.593299D+01 -0.387992D+01 -0.258606D+01  0.778768D+00  0.129806D+02
                26            27            28            29            30 
      1  -0.686842D+01  0.143504D+01  0.120109D+02  0.445855D+01  0.819950D+00
      2  -0.105467D+01 -0.204814D+01 -0.292961D+01 -0.299311D+01 -0.323132D+01
      3   0.792309D+01  0.613102D+00 -0.908132D+01 -0.146544D+01  0.241137D+01
      4  -0.250093D+01  0.882969D+01  0.372831D+01  0.364168D+01 -0.193153D+01
      5   0.824377D+01 -0.663621D+01  0.815745D+01 -0.124553D+01  0.571025D+01
      6   0.156482D+01  0.124344D+02  0.817734D+01  0.338821D+01 -0.865388D+00
                31            32            33            34            35 
      1  -0.954415D+01 -0.681356D+01  0.938335D+01  0.585290D+00  0.117556D+02
      2  -0.116662D+01  0.245879D+01 -0.396695D+01  0.467981D+01  0.324198D+01
      3   0.107108D+02  0.435478D+01 -0.541639D+01 -0.526510D+01 -0.149975D+02
      4   0.990103D+01  0.286123D+01  0.305508D+01  0.204126D+02  0.200204D+01
      5   0.177649D+02  0.407184D+01  0.593071D+00 -0.359621D+01 -0.341205D+01
      6   0.394801D+01  0.518025D+01  0.100311D+02  0.230034D+01  0.595292D+01
                36            37            38            39            40 
      1  -0.148217D+02  0.391463D+01 -0.775017D+01  0.205040D+02  0.109662D+02
      2   0.260578D+01 -0.873288D+01  0.188683D+01 -0.432631D+01  0.107621D+01
      3   0.122159D+02  0.481825D+01  0.586335D+01 -0.161777D+02 -0.120424D+02
      4  -0.373276D+01 -0.114609D+02 -0.466754D+01  0.576470D+01  0.502711D+01
      5  -0.977395D+00  0.863820D+01  0.362080D+01  0.397156D+01  0.441952D+01
      6  -0.603043D+01  0.396133D+01 -0.329082D+01 -0.197758D+01  0.336607D+01
                41            42            43            44            45 
      1  -0.623439D+01 -0.789455D+00 -0.207974D+02 -0.109897D+02  0.851421D+01
      2   0.121480D+02 -0.188356D+01  0.379987D+01  0.327515D+01 -0.745123D+01
      3  -0.591359D+01  0.267301D+01  0.169976D+02  0.771451D+01 -0.106298D+01
      4   0.651904D+00  0.682234D+00 -0.660802D+01 -0.337163D+01 -0.568668D+01
      5   0.228914D+01 -0.815726D+01  0.777185D+01 -0.520199D+01  0.152304D+01
      6   0.221904D+01  0.232004D+01 -0.126550D+02 -0.444738D+01  0.716820D+01
                46            47            48            49            50 
      1  -0.488542D+01  0.104256D+02 -0.136475D+02 -0.230779D+02  0.193324D+01
      2   0.994617D+01 -0.601495D+01  0.913948D+01  0.835791D+01  0.415347D+01
      3  -0.506074D+01 -0.441068D+01  0.450802D+01  0.147200D+02 -0.608670D+01
      4   0.662018D+01  0.683013D+01 -0.873690D+00  0.129116D+02 -0.455066D+01
      5  -0.129503D+02  0.111857D+01 -0.842917D+01 -0.683686D+01 -0.363041D+00
      6   0.479910D+00  0.287068D+01 -0.491543D+01 -0.262361D+01  0.194490D+01
                51            52            53            54            55 
      1  -0.205040D+02  0.243767D+02 -0.566291D+01  0.466184D+00 -0.569673D+02
      2  -0.188162D+00 -0.654887D+01 -0.116905D+01  0.762673D+00  0.206131D+02
      3   0.206922D+02 -0.178279D+02  0.683196D+01 -0.122886D+01  0.363542D+02
      4   0.346588D+00  0.309409D+01 -0.118092D+01  0.523258D+01  0.652210D+01
      5   0.559540D+00  0.472229D+01  0.495591D+01 -0.649419D+01  0.288893D+01
      6   0.432557D+01  0.850146D+01  0.289990D+01  0.147656D+02 -0.135614D-01
                56            57            58            59            60 
      1   0.991255D+01  0.287916D+01  0.404440D+02 -0.916673D+01 -0.486818D+01
      2  -0.726639D+01  0.430591D+00 -0.309715D+02 -0.129583D+02  0.716183D+00
      3  -0.264615D+01 -0.330975D+01 -0.947245D+01  0.221250D+02  0.415200D+01
      4  -0.157957D+02 -0.201411D+01 -0.335110D+02 -0.429357D+02  0.155978D+01
      5  -0.189046D+01 -0.669395D+01 -0.485275D+01  0.289865D+01  0.558190D+01
      6  -0.189159D+01 -0.108031D+01 -0.366616D+01 -0.142466D+01  0.156203D+01
                61            62            63            64            65 
      1   0.376641D+02 -0.733078D+01 -0.146547D+00 -0.164613D+02 -0.334019D+02
      2  -0.101100D+02  0.512378D+01  0.133708D+02  0.141876D+02  0.138007D+02
      3  -0.275541D+02  0.220700D+01 -0.132242D+02  0.227374D+01  0.196012D+02
      4  -0.667562D+01  0.107722D+02  0.191144D+01 -0.369107D+02  0.156833D+02
      5  -0.191122D+02  0.202836D+01 -0.424009D+02 -0.112632D+02  0.357818D+01
      6  -0.185610D+01  0.645480D-01 -0.593337D+01  0.238193D+01  0.179215D+01
                66            67            68            69            70 
      1  -0.842364D+01 -0.734331D+02  0.276375D+02 -0.353962D+00 -0.408695D+02
      2   0.617973D+01  0.379316D+02 -0.154639D+02  0.270859D+00  0.162373D+02
      3   0.224391D+01  0.355015D+02 -0.121736D+02  0.831034D-01  0.246323D+02
      4   0.341107D+01  0.274672D+02  0.368818D+02 -0.412423D+01  0.462119D+01
      5   0.162954D+02  0.532426D+01 -0.520813D+01 -0.131126D+02  0.341613D+02
      6  -0.535416D+00 -0.135920D+01  0.281248D+01 -0.528217D+00 -0.168409D+01
                71            72            73            74            75 
      1   0.127028D+01  0.276046D+02  0.223974D+02  0.412553D+02  0.243651D+02
      2  -0.132074D+01 -0.767775D+01 -0.975383D+01 -0.236194D+02 -0.110084D+02
      3   0.504627D-01 -0.199268D+02 -0.126436D+02 -0.176358D+02 -0.133567D+02
      4  -0.901163D+01 -0.144981D+02  0.421347D+02 -0.206651D+02 -0.806843D+01
      5  -0.138500D+02  0.637425D+02  0.273815D+02 -0.886992D+01 -0.318163D+02
      6   0.583574D+01  0.403231D+00 -0.160784D+00  0.122975D+01 -0.242049D+00
                76            77            78            79            80 
      1   0.584636D+02 -0.298008D+02 -0.125646D+02  0.398944D+02 -0.108554D+02
      2  -0.352221D+02  0.644310D+01  0.783410D+01 -0.161791D+02  0.752995D+01
      3  -0.232414D+02  0.233577D+02  0.473049D+01 -0.237153D+02  0.332542D+01
      4  -0.382355D+02 -0.621243D+02  0.236884D+02 -0.982087D+01  0.237578D+02
      5  -0.122745D+02  0.261835D+02  0.176792D+02 -0.524930D+02  0.148215D+02
      6   0.383562D+01  0.374002D+01 -0.546998D+00  0.459536D+00 -0.141297D+01
                81            82            83            84            85 
      1  -0.417569D+02  0.392631D+02  0.290754D+02  0.203458D+02  0.349159D+02
      2   0.279301D+02 -0.302218D+02 -0.925684D+01 -0.787626D+01 -0.128132D+02
      3   0.138268D+02 -0.904124D+01 -0.198185D+02 -0.124695D+02 -0.221027D+02
      4   0.150779D+02  0.267275D+02 -0.253585D+02 -0.140732D+02 -0.310023D+02
      5  -0.559553D+02  0.204413D+02 -0.102018D+02 -0.149771D+02 -0.953850D+01
      6  -0.281472D+01 -0.132318D+02  0.348369D+01  0.845776D+01  0.525726D+01
                86            87            88            89            90 
      1  -0.270795D+02 -0.373453D+01  0.274922D+02 -0.749554D+01 -0.100321D+02
      2   0.206824D+02 -0.371460D+01 -0.779127D+01 -0.244495D+01  0.416913D+01
      3   0.639706D+01  0.744913D+01 -0.197010D+02  0.994049D+01  0.586294D+01
      4  -0.917866D+01  0.118066D+02 -0.149447D+02  0.196870D+02  0.309112D+02
      5   0.113363D+02  0.194821D+02 -0.250918D+02  0.266002D+02 -0.384974D+02
      6  -0.967911D+01 -0.898848D+01  0.119605D+02 -0.133507D+02  0.174632D+02
                91            92            93            94            95 
      1   0.376602D+01  0.156396D+02  0.847959D+01  0.177975D+02 -0.253525D+01
      2  -0.217416D+01 -0.118086D+02 -0.123416D+01 -0.185936D+02 -0.274703D+01
      3  -0.159186D+01 -0.383096D+01 -0.724543D+01  0.796141D+00  0.528228D+01
      4   0.117268D+02 -0.735579D+01 -0.227284D+01 -0.317268D+02 -0.176988D+02
      5   0.509619D+01 -0.235242D+01 -0.559606D+01 -0.172478D+02 -0.146317D+02
      6  -0.960380D-01 -0.480009D+01 -0.178766D+01 -0.103572D+02 -0.869983D+01
                96            97            98            99           100 
      1  -0.717543D+01  0.207122D+02 -0.836612D+01 -0.827432D+01 -0.737101D+01
      2  -0.584787D+01 -0.754962D+01 -0.478631D+01  0.121919D+02  0.364346D+01
      3   0.130233D+02 -0.131626D+02  0.131524D+02 -0.391758D+01  0.372755D+01
      4  -0.141561D+02 -0.148094D+02 -0.619447D+01  0.197394D+02 -0.851000D+01
      5   0.146457D+02 -0.190008D+02  0.199979D+02 -0.162123D+02  0.125587D+02
      6  -0.841361D+01  0.199905D+01 -0.116417D+01  0.621988D+01  0.290645D+01
               101           102           103           104           105 
      1  -0.103167D+02  0.223390D+01 -0.228452D+02  0.380391D+01  0.243572D+02
      2   0.114986D+02 -0.675888D+01  0.234956D+02 -0.126976D+02 -0.215616D+02
      3  -0.118184D+01  0.452498D+01 -0.650450D+00  0.889373D+01 -0.279562D+01
      4  -0.745400D+01  0.120513D+02 -0.540989D+01  0.838630D+01 -0.601187D+01
      5   0.123873D+02 -0.244813D+01  0.402366D+02 -0.609694D+01 -0.300519D+02
      6   0.407475D+01 -0.145223D+01 -0.399349D+01  0.550473D+01 -0.422578D-01
               106           107           108           109           110 
      1   0.268242D+02  0.137508D+02 -0.359806D+01  0.487685D+02  0.160460D+02
      2  -0.180058D+02 -0.825776D+01  0.108148D+02 -0.305332D+02 -0.968405D+01
      3  -0.881835D+01 -0.549301D+01 -0.721670D+01 -0.182354D+02 -0.636193D+01
      4   0.187675D+02  0.175002D+02 -0.207510D+02  0.203595D+02  0.212499D+02
      5  -0.130399D+02 -0.202962D+02  0.291959D+02 -0.358821D+02 -0.110582D+02
      6  -0.416979D+01 -0.478808D+01  0.377908D+01 -0.462846D+01 -0.456482D+01
               111           112           113           114           115 
      1  -0.245811D+02  0.341083D+02  0.597575D+01 -0.117257D+02 -0.433394D+02
      2   0.178421D+02 -0.201738D+02 -0.143180D+01  0.125831D+02  0.295424D+02
      3   0.673893D+01 -0.139344D+02 -0.454394D+01 -0.857312D+00  0.137970D+02
      4  -0.853948D+01  0.213573D+02  0.343287D+02 -0.145744D+02 -0.100509D+02
      5   0.234260D+02 -0.244638D+02 -0.150045D+02  0.268810D+02  0.447296D+02
      6   0.370460D+01 -0.462279D+01 -0.858147D+01  0.105840D+02  0.123103D+01
               116           117           118           119           120 
      1  -0.303474D+01  0.108556D+02  0.178724D+01 -0.632318D+01  0.161558D+02
      2   0.661781D+01 -0.302126D+02  0.178653D+01  0.161388D+01 -0.677951D+01
      3  -0.358307D+01  0.193569D+02 -0.357377D+01  0.470929D+01 -0.937626D+01
      4  -0.302993D+02  0.201424D+02  0.363328D+00 -0.466103D+01 -0.192005D+02
      5   0.196244D+02 -0.642423D+02  0.223558D+02 -0.155600D+02 -0.919302D+01
      6   0.131068D+02 -0.863333D+01 -0.899481D+01  0.760887D+01  0.486727D+01
               121           122           123           124           125 
      1  -0.810252D+01 -0.145425D+02 -0.158899D+02  0.316084D+02 -0.209825D+02
      2  -0.346695D+01  0.325388D+02  0.793551D+01 -0.112830D+02  0.463378D+01
      3   0.115695D+02 -0.179963D+02  0.795435D+01 -0.203254D+02  0.163487D+02
      4   0.151127D+02 -0.389207D+02  0.173667D+02 -0.358410D+02  0.331335D+02
      5  -0.213167D+02  0.191642D+02  0.632623D+01 -0.115263D+02  0.667042D+01
      6   0.752106D+01 -0.312876D+01  0.388440D+01  0.757623D+01  0.142194D+01
               126           127           128           129           130 
      1  -0.118773D+02  0.228591D+01 -0.407442D+01  0.216059D+01 -0.186031D+00
      2   0.551557D+01  0.338722D+00  0.565194D+01 -0.712450D+00  0.965134D+00
      3   0.636172D+01 -0.262463D+01 -0.157752D+01 -0.144814D+01 -0.779104D+00
      4   0.883201D+01  0.107745D+02  0.969030D+01 -0.697444D+01  0.882275D+01
      5   0.256669D+02 -0.126754D+02 -0.798372D+01  0.103784D+02 -0.104080D+02
      6  -0.101204D+02 -0.839180D+01 -0.775724D+01  0.784905D+01 -0.808532D+01
               131           132           133           134           135 
      1  -0.873610D+01  0.801762D+01  0.417960D+01  0.108853D+02 -0.131017D+02
      2   0.831871D+01 -0.280585D+01 -0.882104D+00 -0.719650D+01  0.192188D+01
      3   0.417393D+00 -0.521177D+01 -0.329749D+01 -0.368876D+01  0.111798D+02
      4   0.106266D+02 -0.726160D+01 -0.769155D+01 -0.785245D+01  0.797204D+01
      5  -0.879479D+01  0.104504D+02  0.110179D+02  0.910273D+01 -0.144513D+02
      6  -0.120110D+02  0.117721D+02  0.888050D+01  0.138132D+02 -0.154933D+02
               136           137           138           139           140 
      1  -0.272073D+01  0.211472D+01 -0.609977D+01  0.358218D+01 -0.775506D+01
      2  -0.341422D+01  0.938830D-01 -0.404313D+01  0.221185D+00  0.234204D+01
      3   0.613495D+01 -0.220861D+01  0.101429D+02 -0.380336D+01  0.541302D+01
      4  -0.482284D+01  0.405868D+01 -0.536477D+01  0.322194D+01 -0.362178D+01
      5   0.911631D+01 -0.376767D+01  0.113942D+02 -0.393991D+01  0.308042D+01
      6  -0.483072D+01  0.356979D+01 -0.522262D+01  0.363178D+01 -0.817355D+01
               141           142           143           144           145 
      1   0.127585D+02 -0.722238D+01  0.123639D+02 -0.279984D+02  0.470236D+01
      2   0.711009D+00 -0.219033D+01 -0.255262D+01 -0.625384D+01 -0.250661D+01
      3  -0.134695D+02  0.941270D+01 -0.981126D+01  0.342522D+02 -0.219575D+01
      4   0.414690D+01 -0.626846D+01  0.669861D+01 -0.947957D+01  0.492461D+01
      5  -0.464275D+01  0.107970D+02 -0.578742D+01  0.157795D+02 -0.967302D+01
      6   0.111353D+02 -0.767067D+01  0.134220D+02 -0.207234D+02 -0.331333D+01
               146           147           148           149           150 
      1  -0.179599D+01  0.141531D+01 -0.177369D+01 -0.558247D+01  0.625089D+01
      2   0.205026D+01  0.100704D+01  0.237449D+00  0.397941D+01 -0.372705D+00
      3  -0.254268D+00 -0.242235D+01  0.153624D+01  0.160306D+01 -0.587818D+01
      4   0.512282D+01 -0.277404D+01  0.488476D+01  0.567819D+01 -0.317230D+01
      5  -0.388195D+01  0.755238D+01 -0.663485D+01 -0.551955D+01  0.776441D+01
      6  -0.325623D+01  0.375952D+01 -0.391661D+01 -0.665611D+01  0.674259D+01
               151           152           153           154           155 
      1   0.282184D+01  0.679356D+01 -0.103428D+02 -0.603446D+00  0.270673D+00
      2   0.103953D+01 -0.316815D+01 -0.135033D+01 -0.427864D+01  0.117770D+01
      3  -0.386137D+01 -0.362541D+01  0.116932D+02  0.488209D+01 -0.144837D+01
      4  -0.424454D+01 -0.439693D+01  0.376626D+01 -0.342436D+01  0.300700D+01
      5   0.947237D+01  0.554248D+01 -0.116357D+02  0.757314D+01 -0.290271D+01
      6   0.517116D+01  0.802040D+01 -0.932218D+01 -0.186787D+01  0.211080D+01
               156           157           158           159           160 
      1  -0.410382D+01  0.275273D+01 -0.571426D+01  0.101728D+02 -0.244503D+01
      2  -0.494269D+01  0.974599D-01  0.848961D+00  0.211992D+01 -0.528377D+01
      3   0.904651D+01 -0.285019D+01  0.486530D+01 -0.122927D+02  0.772880D+01
      4  -0.329911D+01  0.244737D+01 -0.260335D+01  0.332007D+01 -0.500049D+01
      5   0.102083D+02 -0.298765D+01  0.292617D+01 -0.384450D+01  0.106716D+02
      6  -0.143697D+01  0.240676D+01 -0.500150D+01  0.633954D+01 -0.378544D+01
               161           162           163           164           165 
      1   0.711528D+01 -0.230676D+02  0.154830D+02  0.648488D+01 -0.203263D+01
      2   0.299447D+00 -0.101697D+02 -0.180171D+01  0.481345D+00  0.747978D+00
      3  -0.741473D+01  0.332373D+02 -0.136812D+02 -0.696623D+01  0.128465D+01
      4   0.523917D+01 -0.690905D+01  0.141025D+02  0.184246D+02  0.191900D+01
      5  -0.452305D+01  0.159333D+02 -0.141055D+01  0.237228D+01  0.375041D+01
      6   0.832849D+01 -0.109359D+02  0.839783D+00  0.162450D+01  0.891206D+00
               166           167           168           169           170 
      1   0.141033D+02 -0.110972D+02 -0.254801D+00 -0.163496D+02  0.562899D+00
      2   0.329861D+01  0.328915D+02  0.476607D+00  0.496467D+01 -0.330242D+01
      3  -0.174020D+02 -0.217943D+02 -0.221806D+00  0.113850D+02  0.273952D+01
      4   0.296559D+02  0.565092D+02  0.311114D+01 -0.395626D+01 -0.813390D+01
      5   0.356739D+01  0.189240D+01  0.585692D+01  0.505913D+01  0.552667D+01
      6   0.318503D+01  0.702912D+01  0.580756D+01  0.174552D+01  0.532100D+01
               171           172           173           174           175 
      1  -0.187548D+01  0.695602D+01 -0.212792D+01  0.558743D+01 -0.114150D+02
      2   0.104470D+01 -0.763771D+01  0.127949D+01 -0.553255D+01  0.691813D+01
      3   0.830785D+00  0.681687D+00  0.848431D+00 -0.548808D-01  0.449689D+01
      4   0.559122D+01 -0.107421D+01  0.488568D+01  0.244241D+01  0.460303D+01
      5   0.169215D+01  0.107706D+02  0.173642D+01  0.142325D+02 -0.267707D+01
      6  -0.631745D-01  0.811660D+00  0.130639D+01  0.142810D+01  0.815532D+00
               176           177           178           179           180 
      1  -0.842894D+00 -0.457877D+00  0.131376D+02 -0.254969D+01 -0.124668D+02
      2   0.103872D+01  0.239724D+01 -0.127196D+02  0.844181D+00 -0.152443D+02
      3  -0.195823D+00 -0.193937D+01 -0.418019D+00  0.170550D+01  0.277110D+02
      4   0.241899D+01  0.428339D+01  0.336009D+01  0.780101D+01  0.523243D+01
      5   0.441731D+01 -0.669068D+01  0.190445D+02  0.504211D+01  0.455317D+02
      6   0.248027D+00  0.387764D+01  0.363289D+01  0.612271D+01  0.108061D+02
               181           182           183           184           185 
      1  -0.375275D+01  0.675295D+01 -0.872878D+01  0.143315D+02 -0.781629D+01
      2  -0.142217D+01 -0.264318D+01  0.265255D+01 -0.708345D+01  0.374939D+01
      3   0.517492D+01 -0.410977D+01  0.607624D+01 -0.724800D+01  0.406690D+01
      4   0.729595D+01 -0.186337D+01 -0.710361D+00  0.136388D+00 -0.780738D+00
      5  -0.632326D+01 -0.668343D+00 -0.655568D+00  0.712843D+00 -0.637235D+01
      6  -0.201109D+00  0.237381D-01 -0.100465D+00  0.508696D+00 -0.208076D+01
               186           187           188           189           190 
      1   0.186432D+01 -0.200364D+02  0.824228D-01 -0.204579D+02  0.134592D+02
      2   0.137982D+00  0.963238D+01  0.251794D+01 -0.893618D+01 -0.405429D+01
      3  -0.200231D+01  0.104041D+02 -0.260036D+01  0.293940D+02 -0.940493D+01
      4  -0.602123D+01 -0.724861D+00 -0.988204D+01  0.679797D+01  0.145616D+02
      5   0.687385D+01  0.170606D+01  0.670600D+01 -0.547385D+02 -0.542443D+01
      6   0.702340D+01 -0.219975D+00  0.390467D+01 -0.174161D+01 -0.119827D+01
               191           192           193           194           195 
      1   0.132242D+02 -0.520898D+01  0.371154D+02  0.210986D+02 -0.135146D+01
      2  -0.433929D+01  0.233117D+01 -0.130527D+02  0.681218D+01 -0.620602D+00
      3  -0.888492D+01  0.287781D+01 -0.240627D+02 -0.279108D+02  0.197206D+01
      4   0.198750D+02 -0.231260D+01  0.438030D+02  0.886588D+02 -0.126463D+02
      5  -0.232575D+01  0.658347D+01 -0.534796D+01 -0.141354D+02  0.148560D+02
      6  -0.513848D+00  0.530962D+00 -0.239977D+01 -0.449135D+01  0.615173D+01
               196           197           198           199           200 
      1  -0.126452D+02 -0.181282D+01  0.771506D+01  0.222502D+02 -0.390272D+01
      2   0.577772D+01 -0.801945D+00 -0.429217D+01 -0.142505D+02  0.249411D+01
      3   0.686751D+01  0.261477D+01 -0.342290D+01 -0.799973D+01  0.140861D+01
      4  -0.638085D+01 -0.166724D+02  0.956599D+01 -0.331268D+01  0.614289D+01
      5   0.139015D+02  0.103633D+02 -0.303549D+01  0.156768D+02  0.187926D+00
      6   0.224957D+01  0.603258D+01 -0.262887D+01  0.413818D+00 -0.101069D-01
               201           202           203           204           205 
      1   0.143885D+02 -0.130077D+02  0.641731D+01 -0.135545D+01  0.445351D+02
      2  -0.904344D+01  0.774930D+01 -0.269707D+01  0.150649D+01 -0.280606D+02
      3  -0.534505D+01  0.525840D+01 -0.372024D+01 -0.151036D+00 -0.164745D+02
      4   0.420984D+00  0.115723D+02  0.271365D+01  0.657169D+01  0.274080D+01
      5   0.218250D+02 -0.353450D+01  0.606406D+01 -0.886457D+01  0.439781D+02
      6   0.109901D+01  0.155823D+01 -0.115806D+01  0.385962D+01  0.105042D+01
               206           207           208           209           210 
      1   0.272412D+01  0.257202D+02  0.938672D+02 -0.246651D+02 -0.287860D+02
      2  -0.102387D+01 -0.264625D+02 -0.491010D+02  0.127982D+02  0.159151D+02
      3  -0.170025D+01  0.742378D+00 -0.447662D+02  0.118669D+02  0.128709D+02
      4   0.146704D+02 -0.316513D+01 -0.253041D+02  0.211345D+02  0.924913D+01
      5  -0.227679D+01  0.761997D+02 -0.328877D+02  0.996639D+01  0.259063D+02
      6   0.449549D+01  0.319572D+01  0.141737D+01 -0.742140D+00 -0.181810D+00
               211           212           213           214           215 
      1  -0.592263D+02  0.219282D+02  0.136382D+02 -0.568490D+02  0.106751D+02
      2   0.303366D+02 -0.852344D+01 -0.777684D+01  0.313393D+02 -0.645172D+01
      3   0.288897D+02 -0.134048D+02 -0.586137D+01  0.255097D+02 -0.422342D+01
      4   0.297824D+02 -0.181431D+02 -0.133082D+02  0.129972D+02 -0.179676D+02
      5   0.180991D+02 -0.136903D+02 -0.180354D+02  0.377547D+02 -0.119295D+02
      6  -0.250188D+01  0.220905D+01  0.252576D+01 -0.165452D+01  0.300962D+01
               216           217           218           219           220 
      1   0.271295D+02  0.323337D+02 -0.172780D+02 -0.117586D+02 -0.165506D+02
      2  -0.185951D+02 -0.803791D+01 -0.177293D+01  0.369355D+01 -0.142281D+01
      3  -0.853441D+01 -0.242958D+02  0.190509D+02  0.806500D+01  0.179734D+02
      4  -0.114172D+02 -0.386993D+02  0.381085D+02  0.145249D+02  0.348236D+02
      5  -0.232421D+02 -0.178754D+02  0.116874D+02  0.159973D+02  0.110582D+02
      6   0.224385D+01  0.880680D+01 -0.714619D+01 -0.861146D+01 -0.723403D+01
               221           222           223           224           225 
      1   0.885910D+01  0.314398D+01 -0.202280D+02  0.513818D+01  0.702927D+01
      2   0.113805D+02  0.361713D+01  0.687715D+01  0.507516D+01 -0.263145D+01
      3  -0.202396D+02 -0.676111D+01  0.133509D+02 -0.102133D+02 -0.439781D+01
      4  -0.412781D+02 -0.163384D+02  0.236319D+02 -0.284173D+02 -0.203607D+02
      5  -0.151496D+02 -0.130512D+02  0.196467D+02 -0.180312D+02 -0.165271D+02
      6   0.107618D+02  0.966101D+01 -0.985751D+01  0.118686D+02  0.951927D+01
               226           227           228           229           230 
      1   0.284208D+01 -0.544541D+01  0.580428D+01 -0.322566D+01 -0.156216D+01
      2  -0.106244D+01  0.109629D+01 -0.384377D+01 -0.206376D+00  0.351120D+01
      3  -0.177964D+01  0.434912D+01 -0.196051D+01  0.343204D+01 -0.194904D+01
      4  -0.866313D+01  0.981042D+01 -0.426673D+01  0.790703D+01 -0.992475D+01
      5   0.783510D+01 -0.294166D+01  0.119811D+02 -0.133175D+01  0.736709D+01
      6  -0.252339D+01  0.135589D+01 -0.427009D+01  0.181175D+01 -0.518286D+01
               231           232           233           234           235 
      1   0.331348D+01  0.133577D+02  0.593784D+01 -0.430633D+01 -0.550722D+02
      2  -0.385235D+01 -0.739371D+01 -0.738592D+01 -0.492469D+01  0.310968D+02
      3   0.538870D+00 -0.596403D+01  0.144808D+01  0.923103D+01  0.239754D+02
      4   0.764567D+01 -0.108827D+02  0.213588D+02 -0.214362D+02  0.884827D+01
      5  -0.840044D+01  0.165091D+02 -0.188460D+02  0.490748D+02 -0.499954D+01
      6   0.101545D+02 -0.705631D+01  0.140077D+02 -0.258160D+02  0.441000D+01
               236           237           238           239           240 
      1  -0.206210D+02 -0.964300D+01 -0.146325D+02 -0.139168D+02 -0.304316D+01
      2   0.185835D+02  0.531496D+01  0.123548D+02  0.133731D+02  0.304218D+01
      3   0.203752D+01  0.432804D+01  0.227766D+01  0.543709D+00  0.975263D-03
      4  -0.897452D+01  0.172569D+01  0.177922D+01 -0.293074D+01 -0.156008D+01
      5  -0.823987D+00 -0.310077D+01 -0.741300D+00 -0.228378D+01 -0.317744D+01
      6   0.239352D+01  0.436142D+01  0.132182D+01  0.211285D+01  0.380291D+01
               241           242           243           244           245 
      1  -0.100902D+02 -0.468853D+01 -0.652809D+01  0.185281D+01 -0.562980D+01
      2   0.477416D+01  0.426984D+01  0.310469D+01 -0.575661D+01  0.406039D+01
      3   0.531606D+01  0.418692D+00  0.342340D+01  0.390380D+01  0.156941D+01
      4   0.198642D+01 -0.443565D+01 -0.466625D+01 -0.681623D+01  0.548618D+01
      5   0.136498D+01 -0.540506D+01  0.117440D+01  0.108804D+02 -0.283385D+01
      6   0.189498D+01  0.489056D+01  0.682432D+00 -0.353575D+01  0.127027D+01
               246           247           248           249           250 
      1   0.470287D+01 -0.898887D+01 -0.115453D+01  0.405409D+01  0.587565D+01
      2  -0.514416D+01  0.591563D+01 -0.150146D+01  0.313222D+01 -0.793490D+01
      3   0.441290D+00  0.307324D+01  0.265599D+01 -0.718632D+01  0.205925D+01
      4  -0.239339D+01  0.826046D+01 -0.941605D+01  0.925550D+01 -0.276883D+01
      5   0.121289D+02 -0.431746D+01  0.969896D+01 -0.142185D+02  0.177513D+02
      6  -0.109150D+01  0.286587D+01 -0.598584D+01  0.773885D+01 -0.184326D+01
               251           252           253           254           255 
      1   0.159449D+01 -0.605542D+01 -0.399251D+02 -0.334414D+02 -0.334641D+02
      2   0.502266D+01 -0.149411D+02  0.206100D+02  0.189045D+02  0.122707D+02
      3  -0.661715D+01  0.209965D+02  0.193150D+02  0.145369D+02  0.211934D+02
      4   0.120343D+02 -0.105008D+02 -0.435581D+02 -0.581623D+01 -0.115924D+02
      5  -0.103771D+02  0.355061D+02 -0.397045D+02 -0.764241D+01  0.190682D+01
      6   0.724618D+01 -0.634562D+01 -0.197202D+02  0.254093D+01  0.927781D+01
               256           257           258           259           260 
      1  -0.188383D+02 -0.123569D+01 -0.115515D+01 -0.317662D+02  0.620047D-01
      2   0.188275D+02  0.108348D+02  0.140156D+02  0.125012D+02  0.128305D+02
      3   0.107335D-01 -0.959909D+01 -0.128604D+02  0.192650D+02 -0.128925D+02
      4   0.114782D+02  0.220800D+02  0.136574D+02 -0.795912D+01  0.101307D+02
      5  -0.385303D+00  0.143664D+02 -0.110434D+02  0.523377D+01 -0.162829D+02
      6   0.869629D+01  0.118556D+02 -0.688194D+01  0.788966D+01 -0.135507D+02
               261           262           263           264           265 
      1   0.228305D+02  0.338233D+02 -0.194706D+02 -0.146199D+02 -0.112685D+02
      2  -0.202749D+02 -0.139375D+02  0.612370D+01  0.656127D+01  0.133761D+01
      3  -0.255555D+01 -0.198858D+02  0.133469D+02  0.805859D+01  0.993094D+01
      4  -0.993870D+01 -0.325356D+02  0.273688D+02  0.145805D+02  0.214156D+02
      5   0.650223D+01 -0.201867D+02  0.131107D+02  0.166473D+02  0.924135D+01
      6  -0.384358D+01  0.846399D+01 -0.628759D+01 -0.586223D+01 -0.489231D+01
               266           267           268           269           270 
      1   0.743271D+01  0.365279D+01 -0.260672D+02  0.145902D+02  0.140862D+02
      2   0.335664D+01  0.338081D+00  0.123721D+02 -0.404542D+01 -0.827739D+01
      3  -0.107893D+02 -0.399087D+01  0.136951D+02 -0.105448D+02 -0.580885D+01
      4  -0.283275D+02 -0.113109D+02  0.318075D+02 -0.328249D+02 -0.247140D+02
      5  -0.101799D+02 -0.103793D+02  0.287446D+02 -0.226851D+02 -0.281388D+02
      6   0.722984D+01  0.588462D+01 -0.119554D+02  0.124969D+02  0.129286D+02
               271           272           273           274           275 
      1  -0.124292D+02  0.179964D+02  0.202708D+02  0.810036D+01 -0.150466D+02
      2   0.499587D+01 -0.129255D+02 -0.667578D+01 -0.582681D+01  0.119624D+02
      3   0.743332D+01 -0.507090D+01 -0.135950D+02 -0.227355D+01  0.308414D+01
      4  -0.115796D+01 -0.415341D+01  0.500419D+00  0.207723D+01  0.334195D+01
      5   0.301555D+01 -0.306036D+01 -0.552693D+01  0.370548D+00  0.315560D+01
      6   0.812294D+01 -0.109886D+02 -0.133552D+02 -0.455214D+01  0.111500D+02
               276           277           278           279           280 
      1  -0.109941D+02  0.167121D+02 -0.171319D+02 -0.275314D+02  0.168763D+01
      2   0.631294D+01 -0.622309D+01  0.919190D+01  0.584297D+01  0.944414D+00
      3   0.468119D+01 -0.104890D+02  0.793999D+01  0.216884D+02 -0.263204D+01
      4   0.258319D+01  0.596255D+01  0.796956D+01  0.644074D+01  0.466988D+01
      5   0.593982D+01  0.181303D+01  0.109620D+02  0.157184D+02  0.204171D+00
      6   0.125234D+02 -0.553383D+01  0.180185D+02  0.224661D+02 -0.825279D+00
               281           282           283           284           285 
      1   0.841593D+01 -0.412606D+00  0.653471D+01 -0.114876D+02  0.450774D+01
      2  -0.719317D+01  0.139938D+01 -0.316665D+01  0.217032D+02 -0.118368D+02
      3  -0.122277D+01 -0.986776D+00 -0.336806D+01 -0.102156D+02  0.732909D+01
      4   0.102317D+01 -0.351967D-01  0.598517D+01  0.152442D+02 -0.787882D+01
      5   0.162863D+01 -0.944159D+00  0.790629D+00 -0.970383D+01  0.106636D+02
      6  -0.215756D-01 -0.280000D+01 -0.294633D+00 -0.660214D+01  0.958063D+01
               286           287           288           289           290 
      1  -0.651437D+01  0.959890D+01 -0.836957D+01  0.764128D+02  0.186057D+02
      2   0.227279D+01 -0.202713D+02  0.121256D+02 -0.349175D+02 -0.178948D+01
      3   0.424159D+01  0.106724D+02 -0.375600D+01 -0.414953D+02 -0.168163D+02
      4  -0.728517D+01 -0.196895D+02  0.669911D+01  0.568204D+02  0.326006D+02
      5  -0.115953D+01  0.920390D+01 -0.177675D+02  0.424142D+02  0.153024D+02
      6  -0.204159D+01  0.772724D+01 -0.128294D+02  0.167604D+02  0.103713D+02
               291           292           293           294           295 
      1   0.170591D+02  0.931503D+01  0.750958D+01  0.157768D+01  0.154951D+02
      2  -0.106682D+02  0.689433D+00  0.873266D+00 -0.516588D+00 -0.102093D+02
      3  -0.639091D+01 -0.100045D+02 -0.838285D+01 -0.106109D+01 -0.528581D+01
      4   0.165483D+02  0.211318D+02  0.141434D+02  0.505488D+01  0.143391D+02
      5   0.226308D+02  0.711778D+01  0.600304D+01  0.515687D+01  0.214925D+02
      6   0.981551D+01  0.603448D+01  0.429679D+01  0.529493D+01  0.807846D+01
               296           297 
      1   0.243352D+01  0.616380D+01
      2  -0.154103D+01 -0.481444D+01
      3  -0.892491D+00 -0.134936D+01
      4   0.786969D+01  0.105200D+02
      5   0.971095D+01  0.140966D+02
      6   0.736010D+01  0.693667D+01
 Leave Link  716 at Mon Sep 27 21:07:11 2021, MaxMem=  6442450944 cpu:               5.2 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.229019D+03  0.963054D+01  0.338514D+01
      2   0.963054D+01  0.147159D+03 -0.945034D+01
      3   0.338514D+01 -0.945034D+01  0.149483D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.438428D+01  0.353238D+01 -0.533301D+01
      2  -0.370218D+02 -0.200810D+01 -0.488474D+02
      3  -0.691102D+01  0.455072D+02 -0.473418D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.281913D+03 -0.311386D+02 -0.609218D+02
      2   0.135882D+03  0.350170D+02  0.375746D+02
      3   0.146030D+03 -0.387838D+01  0.233472D+02
      4   0.116497D+02 -0.886613D+02  0.892247D+01
      5  -0.113871D+02  0.103338D+02 -0.881514D+02
      6   0.144884D+02  0.367310D+02  0.197979D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883813D+01  0.157151D+01  0.147515D+01 -0.274201D+01 -0.252501D+00
      2   0.157151D+01 -0.805911D+00  0.581891D+00 -0.252501D+00 -0.391429D+01
      3   0.147515D+01  0.581891D+00 -0.328374D+01 -0.229955D+01  0.793705D+00
                 6             7             8             9            10 
      1  -0.229955D+01  0.136324D+02  0.218938D+00  0.127227D+01 -0.316825D+02
      2   0.793705D+00  0.218938D+00 -0.138879D+01  0.141735D+01 -0.175339D+01
      3   0.804430D+00  0.127227D+01  0.141735D+01  0.137283D+01 -0.281367D+01
                11            12            13            14            15 
      1  -0.175339D+01 -0.281367D+01 -0.357987D+01 -0.417930D+01 -0.207013D+01
      2  -0.187633D+01  0.715003D+00 -0.417930D+01 -0.220311D+01 -0.604591D+00
      3   0.715003D+00 -0.271667D+01 -0.207013D+01 -0.604591D+00 -0.158434D+01
                16            17            18            19            20 
      1  -0.634514D+01 -0.219371D+01 -0.213901D+01 -0.115790D+02 -0.240957D+01
      2  -0.219371D+01 -0.610237D+00 -0.759811D+00 -0.240957D+01  0.251396D+01
      3  -0.213901D+01 -0.759811D+00 -0.130239D+01 -0.174636D+01 -0.161061D+01
                21            22            23            24            25 
      1  -0.174636D+01 -0.108330D+02  0.660662D-01 -0.263326D+00  0.754506D+01
      2  -0.161061D+01  0.660662D-01 -0.241948D+01  0.112889D+01  0.232629D+01
      3   0.700939D+00 -0.263326D+00  0.112889D+01  0.280685D+01 -0.319585D+00
                26            27            28            29            30 
      1   0.232629D+01 -0.319585D+00  0.282793D+02  0.351811D+01  0.320806D+01
      2   0.719845D+00  0.157401D+01  0.351811D+01  0.213847D+01 -0.496708D-01
      3   0.157401D+01  0.266394D+01  0.320806D+01 -0.496708D-01  0.268015D+01
                31            32            33            34            35 
      1   0.281436D+01  0.410336D+01  0.248642D+01  0.314972D+01  0.270655D+01
      2   0.410336D+01  0.173100D+01  0.136500D+01  0.270655D+01  0.158937D+01
      3   0.248642D+01  0.136500D+01  0.112035D+01  0.265196D+01 -0.523488D+00
                36            37            38            39            40 
      1   0.265196D+01 -0.765112D+01 -0.149269D+01 -0.196447D+01  0.401228D+01
      2  -0.523488D+00 -0.149269D+01  0.355264D+00 -0.256685D-01  0.102468D+01
      3   0.105391D+01 -0.196447D+01 -0.256685D-01  0.299928D+01  0.181289D+01
                41            42            43            44            45 
      1   0.102468D+01  0.181289D+01 -0.134133D+02 -0.130322D+01 -0.117014D+01
      2   0.369872D+01 -0.101547D+01 -0.130322D+01  0.160691D-01 -0.780401D+00
      3  -0.101547D+01 -0.865794D+00 -0.117014D+01 -0.780401D+00 -0.181305D+01
                46            47            48            49            50 
      1   0.104584D+02  0.205204D+01  0.159940D+01  0.105341D+02 -0.619679D+00
      2   0.205204D+01 -0.153570D+01  0.781630D+00 -0.619679D+00  0.222047D+01
      3   0.159940D+01  0.781630D+00 -0.705538D-01  0.113305D+01 -0.162701D+01
                51            52            53            54            55 
      1   0.113305D+01 -0.730713D+01 -0.162401D+01  0.262839D+00  0.191337D+02
      2  -0.162701D+01 -0.162401D+01 -0.745422D+00 -0.133254D+01 -0.842376D+00
      3  -0.247323D+01  0.262839D+00 -0.133254D+01 -0.249323D+01  0.412591D+00
                56            57            58            59            60 
      1  -0.842376D+00  0.412591D+00 -0.390090D+01  0.495040D+01  0.800836D+00
      2   0.227873D+01  0.352910D+00  0.495040D+01  0.584925D+01 -0.233591D+00
      3   0.352910D+00  0.113754D+01  0.800836D+00 -0.233591D+00 -0.928678D+00
                61            62            63            64            65 
      1  -0.584577D+01  0.102034D+01  0.243040D+01 -0.417484D+01  0.400221D+01
      2   0.102034D+01 -0.157961D+01 -0.304085D+00  0.400221D+01 -0.196646D+01
      3   0.243040D+01 -0.304085D+00  0.606752D+01  0.866990D+00 -0.445896D+00
                66            67            68            69            70 
      1   0.866990D+00  0.115915D+02 -0.328139D+01 -0.337812D+00  0.829636D+01
      2  -0.445896D+00 -0.328139D+01 -0.451103D+01  0.407032D+00 -0.516526D+00
      3  -0.220048D+01 -0.337812D+00  0.407032D+00  0.177347D+01 -0.319112D+01
                71            72            73            74            75 
      1  -0.516526D+00 -0.319112D+01 -0.211944D+01 -0.352252D+01 -0.202733D+01
      2   0.122621D+01  0.177672D+01 -0.352252D+01  0.198122D+01  0.743595D+00
      3   0.177672D+01 -0.772510D+01 -0.202733D+01  0.743595D+00  0.285202D+01
                76            77            78            79            80 
      1  -0.564024D+01  0.358421D+01  0.959855D+00 -0.391697D+01  0.889333D+00
      2   0.358421D+01  0.583362D+01 -0.210442D+01  0.889333D+00 -0.230800D+01
      3   0.959855D+00 -0.210442D+01 -0.163598D+01  0.442910D+01 -0.127370D+01
                81            82            83            84            85 
      1   0.442910D+01 -0.345000D+01 -0.422595D+01 -0.276649D+01 -0.557809D+01
      2  -0.127370D+01 -0.422595D+01  0.199340D+01  0.893918D+00  0.224393D+01
      3   0.505792D+01 -0.276649D+01  0.893918D+00  0.184530D+01  0.844248D+00
                86            87            88            89            90 
      1   0.224393D+01  0.844248D+00 -0.410973D+01  0.962573D+00  0.276685D+01
      2   0.209877D+01 -0.128438D+01  0.962573D+00 -0.211000D+01 -0.321424D+01
      3  -0.128438D+01 -0.238891D+01  0.276685D+01 -0.321424D+01  0.485049D+01
                91            92            93            94            95 
      1  -0.566150D+01  0.518332D+00 -0.401873D+00  0.604491D+00 -0.487898D+01
      2   0.518332D+00 -0.212545D+01 -0.706259D+00 -0.487898D+01 -0.304879D+01
      3  -0.401873D+00 -0.706259D+00 -0.139136D+01 -0.256414D+01 -0.240188D+01
                96            97            98            99           100 
      1  -0.256414D+01  0.432988D+01 -0.190381D+01 -0.285165D+01 -0.244118D+01
      2  -0.240188D+01 -0.190381D+01 -0.921438D+00  0.283508D+01 -0.146966D+01
      3   0.181725D+01 -0.285165D+01  0.283508D+01 -0.186359D+01  0.107983D+01
               101           102           103           104           105 
      1  -0.146966D+01  0.107983D+01 -0.426900D+01  0.703110D+00  0.377219D+01
      2  -0.218637D+00  0.128381D+01  0.703110D+00  0.426171D+00 -0.288386D+00
      3   0.128381D+01  0.429114D+00  0.377219D+01 -0.288386D+00 -0.414345D+01
               106           107           108           109           110 
      1   0.211811D+01  0.153620D+01 -0.100784D+01  0.527754D+01  0.227709D+01
      2   0.153620D+01  0.749363D+00 -0.245013D+01  0.227709D+01  0.154400D+01
      3  -0.100784D+01 -0.245013D+01  0.185153D+01 -0.332774D+01 -0.914401D+00
               111           112           113           114           115 
      1  -0.332774D+01  0.597571D+01  0.175865D+01 -0.232055D+01 -0.806407D+01
      2  -0.914401D+00  0.175865D+01  0.418582D+01 -0.168262D+01 -0.937905D+00
      3   0.146808D+01 -0.232055D+01 -0.168262D+01  0.320690D+01  0.394692D+01
               116           117           118           119           120 
      1  -0.937905D+00  0.394692D+01 -0.892389D+00  0.549387D-01  0.232660D+01
      2  -0.306112D+01  0.223184D+01  0.549387D-01 -0.154407D+01 -0.176798D+01
      3   0.223184D+01 -0.693318D+01  0.232660D+01 -0.176798D+01 -0.169296D+01
               121           122           123           124           125 
      1  -0.231630D+01  0.376089D+00 -0.205452D+01  0.494999D+01 -0.332581D+01
      2   0.376089D+00 -0.446428D+01  0.168057D+01 -0.332581D+01  0.373988D+01
      3  -0.205452D+01  0.168057D+01  0.122754D+01 -0.158203D+01  0.720745D+00
               126           127           128           129           130 
      1  -0.158203D+01 -0.350087D+01 -0.188040D+01  0.178780D+01 -0.235270D+01
      2   0.720745D+00 -0.188040D+01 -0.186996D+01  0.140754D+01 -0.168064D+01
      3   0.304876D+01  0.178780D+01  0.140754D+01 -0.153580D+01  0.183961D+01
               131           132           133           134           135 
      1  -0.168064D+01  0.183961D+01  0.233224D+01  0.156185D+01 -0.196983D+01
      2  -0.237378D+01  0.190169D+01  0.156185D+01  0.256924D+01 -0.238227D+01
      3   0.190169D+01 -0.249181D+01 -0.196983D+01 -0.238227D+01  0.345686D+01
               136           137           138           139           140 
      1   0.203601D+01 -0.585984D+00  0.205647D+01 -0.715952D+00  0.370720D+00
      2  -0.585984D+00  0.462919D+00 -0.672274D+00  0.370720D+00 -0.126170D+01
      3   0.205647D+01 -0.672274D+00  0.234541D+01 -0.911496D+00  0.138748D+01
               141           142           143           144           145 
      1  -0.911496D+00  0.216940D+01 -0.119198D+01  0.257489D+01  0.379706D+01
      2   0.138748D+01 -0.119198D+01  0.198488D+01 -0.271324D+01  0.144637D+01
      3  -0.310521D+01  0.257489D+01 -0.271324D+01  0.671388D+01 -0.147712D+01
               146           147           148           149           150 
      1   0.144637D+01 -0.147712D+01  0.195878D+01  0.118188D+01 -0.145198D+01
      2   0.126967D+01 -0.820735D+00  0.118188D+01  0.152529D+01 -0.131461D+01
      3  -0.820735D+00  0.135411D+01 -0.145198D+01 -0.131461D+01  0.208140D+01
               151           152           153           154           155 
      1  -0.218869D+01 -0.129619D+01  0.183358D+01 -0.183484D+01  0.574164D+00
      2  -0.129619D+01 -0.198648D+01  0.179843D+01  0.574164D+00 -0.302501D+00
      3   0.183358D+01  0.179843D+01 -0.327604D+01 -0.184327D+01  0.473116D+00
               156           157           158           159           160 
      1  -0.184327D+01  0.382227D+00 -0.278761D+00  0.668774D+00 -0.252963D+01
      2   0.473116D+00 -0.278761D+00  0.863400D+00 -0.110698D+01  0.106852D+01
      3  -0.216337D+01  0.668774D+00 -0.110698D+01  0.275270D+01 -0.253061D+01
               161           162           163           164           165 
      1   0.106852D+01 -0.253061D+01 -0.337698D+01 -0.157408D+01  0.184217D+00
      2  -0.157075D+01  0.215174D+01 -0.157408D+01 -0.170801D+01 -0.260889D+00
      3   0.215174D+01 -0.665226D+01  0.184217D+00 -0.260889D+00 -0.251783D+00
               166           167           168           169           170 
      1  -0.468951D+01 -0.323717D+01 -0.469503D+00  0.408049D+01  0.383855D+00
      2  -0.323717D+01 -0.837487D+01 -0.440147D+00  0.383855D+00  0.109944D+01
      3  -0.469503D+00 -0.440147D+00 -0.836910D+00 -0.478648D+00 -0.830865D+00
               171           172           173           174           175 
      1  -0.478648D+00 -0.103602D+01  0.288036D+00 -0.120858D+01  0.252974D+01
      2  -0.830865D+00  0.288036D+00 -0.499856D+00 -0.194076D+00 -0.681859D+00
      3  -0.282221D+00 -0.120858D+01 -0.194076D+00 -0.125173D+01  0.339182D+00
               176           177           178           179           180 
      1  -0.681859D+00  0.339182D+00 -0.339917D+01 -0.178069D+00 -0.209950D+01
      2  -0.367490D+00 -0.708500D+00 -0.178069D+00 -0.113118D+01 -0.789215D+00
      3  -0.708500D+00  0.874120D+00 -0.209950D+01 -0.789215D+00 -0.696231D+01
               181           182           183           184           185 
      1   0.116379D+01 -0.103662D+01  0.100899D+01 -0.209973D+01  0.304771D+00
      2  -0.103662D+01  0.417519D+00  0.578167D-01  0.304771D+00  0.402891D-01
      3   0.100899D+01  0.578167D-01  0.709137D+00 -0.117336D+00  0.862575D+00
               186           187           188           189           190 
      1  -0.117336D+00  0.224834D+01 -0.411727D-01  0.338854D+00 -0.985097D+00
      2   0.862575D+00 -0.411727D-01  0.138343D+01 -0.819079D+00 -0.117556D+01
      3  -0.863669D+00  0.338854D+00 -0.819079D+00  0.719301D+01  0.436448D+00
               191           192           193           194           195 
      1  -0.117556D+01  0.436448D+00 -0.368663D+01 -0.345671D+01  0.366205D+00
      2  -0.131885D+01  0.156826D+00 -0.345671D+01 -0.808128D+01  0.111770D+01
      3   0.156826D+00 -0.486251D+00  0.366205D+00  0.111770D+01 -0.123009D+01
               196           197           198           199           200 
      1   0.120240D+01  0.495747D+00 -0.110056D+01 -0.174754D+01  0.305167D+00
      2   0.495747D+00  0.154330D+01 -0.926907D+00  0.305167D+00 -0.435209D+00
      3  -0.110056D+01 -0.926907D+00  0.267536D+00 -0.118346D+01 -0.235115D-01
               201           202           203           204           205 
      1  -0.118346D+01  0.117335D+01 -0.904875D+00  0.282579D+00 -0.423307D+01
      2  -0.235115D-01 -0.904875D+00 -0.249433D+00 -0.577596D+00 -0.264084D+00
      3  -0.147919D+01  0.282579D+00 -0.577596D+00  0.786865D+00 -0.339267D+01
               206           207           208           209           210 
      1  -0.264084D+00 -0.339267D+01 -0.731154D+01  0.200378D+01  0.237026D+01
      2  -0.126061D+01  0.169781D+00  0.200378D+01 -0.152908D+01 -0.767732D+00
      3   0.169781D+00 -0.662340D+01  0.237026D+01 -0.767732D+00 -0.180763D+01
               211           212           213           214           215 
      1   0.536482D+01 -0.227958D+01 -0.129931D+01  0.517868D+01 -0.102222D+01
      2  -0.227958D+01  0.139637D+01  0.110526D+01 -0.102222D+01  0.150115D+01
      3  -0.129931D+01  0.110526D+01  0.140059D+01 -0.280281D+01  0.958854D+00
               216           217           218           219           220 
      1  -0.280281D+01 -0.428446D+01  0.322789D+01  0.171808D+01  0.273530D+01
      2   0.958854D+00  0.322789D+01 -0.337894D+01 -0.115666D+01 -0.296500D+01
      3   0.175002D+01  0.171808D+01 -0.115666D+01 -0.151435D+01 -0.116144D+01
               221           222           223           224           225 
      1  -0.296500D+01 -0.116144D+01  0.302999D+01 -0.191655D+01 -0.188750D+01
      2   0.408713D+01  0.167554D+01 -0.191655D+01  0.295376D+01  0.202286D+01
      3   0.167554D+01  0.144991D+01 -0.188750D+01  0.202286D+01  0.169689D+01
               226           227           228           229           230 
      1  -0.459587D+00  0.882661D+00 -0.709446D+00  0.726257D+00 -0.562137D+00
      2   0.882661D+00 -0.769304D+00  0.241300D+00 -0.562137D+00  0.118202D+01
      3  -0.709446D+00  0.241300D+00 -0.109086D+01  0.167627D+00 -0.947673D+00
               231           232           233           234           235 
      1   0.167627D+00 -0.194744D+01  0.728787D+00 -0.148204D+01  0.816515D+01
      2  -0.947673D+00  0.728787D+00 -0.262663D+01  0.234226D+01  0.115471D+01
      3   0.113788D+01 -0.148204D+01  0.234226D+01 -0.616078D+01  0.111139D+01
               236           237           238           239           240 
      1   0.115471D+01  0.111139D+01  0.106461D+01  0.130638D+01  0.185795D+00
      2   0.260744D+01  0.324981D+00  0.130638D+01  0.141549D+01  0.407953D+00
      3   0.324981D+00  0.787402D+00  0.185795D+00  0.407953D+00  0.725074D+00
               241           242           243           244           245 
      1   0.114085D+01  0.322551D+00  0.284891D+00 -0.296678D+00 -0.108463D+01
      2   0.322551D+00  0.806085D+00  0.879070D+00 -0.108463D+01  0.596451D+00
      3   0.284891D+00  0.879070D+00  0.161355D+00  0.115766D+01 -0.215991D+00
               246           247           248           249           250 
      1   0.115766D+01 -0.214083D+01  0.926464D+00 -0.423188D+00  0.227956D+01
      2  -0.215991D+00  0.926464D+00 -0.144301D+01  0.143620D+01 -0.171829D+00
      3   0.110191D+01 -0.423188D+00  0.143620D+01 -0.199411D+01  0.195413D+01
               251           252           253           254           255 
      1  -0.171829D+00  0.195413D+01 -0.762230D+01 -0.389990D+01 -0.408117D+01
      2   0.190822D+01 -0.149148D+01 -0.389990D+01  0.907534D+00  0.357634D+00
      3  -0.149148D+01  0.525072D+01 -0.408117D+01  0.357634D+00  0.165521D+01
               256           257           258           259           260 
      1   0.158489D+01  0.338674D+01  0.110611D+01 -0.371237D+01  0.560918D+00
      2   0.338674D+01  0.333453D+01  0.208109D+01  0.560918D+00  0.140849D+01
      3   0.110611D+01  0.208109D+01 -0.191578D+01  0.193749D+01 -0.306737D+01
               261           262           263           264           265 
      1   0.193749D+01  0.417675D+01 -0.292977D+01 -0.188395D+01 -0.187082D+01
      2  -0.306737D+01 -0.292977D+01  0.271421D+01  0.130995D+01  0.204961D+01
      3   0.196123D-01 -0.188395D+01  0.130995D+01  0.173399D+01  0.102270D+01
               266           267           268           269           270 
      1   0.204961D+01  0.102270D+01 -0.393957D+01  0.306106D+01  0.298588D+01
      2  -0.320892D+01 -0.116494D+01  0.306106D+01 -0.355851D+01 -0.254962D+01
      3  -0.116494D+01 -0.133109D+01  0.298588D+01 -0.254962D+01 -0.316264D+01
               271           272           273           274           275 
      1  -0.152137D+01  0.110666D+01  0.160320D+01  0.555338D+00 -0.782208D+00
      2   0.110666D+01 -0.222487D+01 -0.147623D+01 -0.782208D+00  0.177584D+01
      3   0.160320D+01 -0.147623D+01 -0.231299D+01 -0.522712D+00  0.123567D+01
               276           277           278           279           280 
      1  -0.522712D+00  0.210723D+01 -0.467194D+00 -0.105360D+01  0.321512D+00
      2   0.123567D+01 -0.467194D+00  0.242774D+01  0.260707D+01  0.643770D+00
      3   0.154213D+01 -0.105360D+01  0.260707D+01  0.421885D+01 -0.259143D+00
               281           282           283           284           285 
      1   0.643770D+00 -0.259143D+00  0.918194D+00  0.399124D-01 -0.427643D-01
      2  -0.716221D+00  0.788693D-01  0.399124D-01  0.306522D+01 -0.154510D+01
      3   0.788693D-01 -0.449180D+00 -0.427643D-01 -0.154510D+01  0.180555D+01
               286           287           288           289           290 
      1  -0.173613D+01 -0.546949D+00 -0.401693D+00  0.119819D+02  0.425567D+01
      2  -0.546949D+00 -0.356886D+01  0.156001D+01  0.425567D+01  0.304457D+01
      3  -0.401693D+00  0.156001D+01 -0.285548D+01  0.329094D+01  0.134780D+01
               291           292           293           294           295 
      1   0.329094D+01  0.188967D+01  0.166383D+01  0.521683D+00  0.289755D+01
      2   0.134780D+01  0.166383D+01  0.119207D+01  0.461555D+00  0.105772D+01
      3   0.189932D+01  0.521683D+00  0.461555D+00  0.476029D+00  0.179079D+01
               296           297 
      1   0.105772D+01  0.179079D+01
      2   0.801181D+00  0.116262D+01
      3   0.116262D+01  0.141006D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.232951D+01 -0.728279D+00 -0.230138D+01 -0.706021D+01 -0.131259D+01
      2   0.238316D+01 -0.199908D+01  0.222165D+01 -0.618621D+01  0.166884D+01
      3  -0.657151D+01 -0.351525D+01  0.145120D-01  0.108031D+02 -0.990188D+00
                 6             7             8             9            10 
      1  -0.360970D+01 -0.448391D+01  0.244536D+01 -0.706652D+00 -0.994415D+00
      2  -0.141621D+01 -0.494014D+01 -0.128618D+01 -0.279607D-01  0.463505D+01
      3   0.313594D+01 -0.353101D+01 -0.153438D+01  0.329380D+01  0.132755D+02
                11            12            13            14            15 
      1  -0.190066D+01  0.143447D+01 -0.542985D+01  0.478942D+01 -0.690183D+01
      2   0.101926D+01 -0.370733D+01  0.716533D+01  0.283336D+01 -0.249325D+01
      3   0.181145D+01  0.995460D+00  0.151124D+02  0.135911D+01  0.116875D+01
                16            17            18            19            20 
      1   0.719884D+01  0.577777D+00 -0.543806D+01 -0.221567D+01  0.129979D+01
      2  -0.214338D+02 -0.223562D+01  0.110305D+01  0.139286D+01 -0.208977D+01
      3  -0.394080D+01  0.121199D+01 -0.119972D+01  0.230961D+01 -0.766570D+00
                21            22            23            24            25 
      1  -0.883052D+00  0.404625D+01  0.122977D+01  0.151616D+00  0.323110D+01
      2   0.809519D+01  0.299545D+01 -0.303634D+01  0.344752D+01 -0.891869D+01
      3   0.314989D+01  0.126558D+02  0.314279D+01  0.586905D+00  0.242530D+01
                26            27            28            29            30 
      1   0.306369D+01  0.361065D+01  0.145093D+01 -0.187966D+01  0.465870D+01
      2   0.455193D-01 -0.109017D+00 -0.483060D+01  0.723956D+00 -0.350705D+01
      3   0.752049D-01 -0.228122D+01 -0.127695D+02 -0.112529D+01 -0.271733D+01
                31            32            33            34            35 
      1  -0.134524D+01  0.513679D+01 -0.573247D+01  0.876396D+01  0.237758D+01
      2   0.686239D+01  0.274153D+01 -0.428353D+01 -0.209728D+02 -0.641519D+01
      3   0.143564D+02  0.138614D+01 -0.151483D+01 -0.101763D+02 -0.300035D+00
                36            37            38            39            40 
      1  -0.388029D+01  0.894909D+00 -0.119930D+01  0.466451D+00 -0.509547D+01
      2  -0.395774D+01  0.678354D+01 -0.842323D+00  0.311413D+01 -0.758636D+01
      3  -0.114304D+01  0.239496D+01 -0.188569D+01  0.256801D+01  0.920260D+01
                41            42            43            44            45 
      1  -0.236635D+01 -0.340375D+01 -0.406576D+01  0.133814D+01 -0.269089D+01
      2   0.106014D+01 -0.220155D+01  0.201897D+00 -0.272869D+00  0.478048D+00
      3  -0.536667D+00  0.280151D+01  0.881699D+01  0.759516D+00  0.481693D+01
                46            47            48            49            50 
      1  -0.718657D+00  0.260469D+01 -0.135192D+01  0.627730D+01  0.536992D+00
      2  -0.298845D+01 -0.338254D+01  0.800352D+01 -0.557572D+01 -0.323504D+01
      3  -0.115461D+02 -0.321177D+01  0.196136D+01  0.696770D+01  0.149692D+01
                51            52            53            54            55 
      1  -0.193862D+01  0.286306D+01  0.238451D+01  0.880682D+00 -0.186148D+01
      2   0.461976D+01 -0.541679D+01  0.609717D+00 -0.129943D+01  0.344730D+01
      3  -0.123815D+01  0.933606D+01  0.101967D+01 -0.191121D+01 -0.153272D+02
                56            57            58            59            60 
      1   0.582426D+00 -0.265386D+00  0.213670D+00 -0.681852D+01 -0.254604D+01
      2  -0.120074D+01  0.115068D+01 -0.267053D+01  0.572775D+01  0.332963D+01
      3   0.540768D+01  0.123978D+01  0.271935D+02  0.139663D+02 -0.108361D+01
                61            62            63            64            65 
      1   0.798749D+00  0.190147D+01  0.663987D+01  0.221187D+01 -0.365889D+00
      2  -0.192384D+02  0.262825D+01 -0.222966D+02 -0.898023D+01  0.200157D+01
      3   0.874427D+01 -0.558685D+01 -0.462985D+01  0.245788D+02 -0.121522D+02
                66            67            68            69            70 
      1   0.848020D+00  0.111122D+01 -0.533484D+00 -0.258619D+01 -0.105577D+01
      2   0.111452D+02  0.389253D+01 -0.405945D+01 -0.628736D+01  0.117993D+02
      3  -0.187423D+01 -0.131659D+02 -0.175695D+02  0.195783D+01 -0.815474D+01
                71            72            73            74            75 
      1   0.371179D+01  0.142036D+01 -0.839830D+00 -0.407901D+00  0.124727D+01
      2  -0.896310D+01  0.359226D+02  0.134898D+02 -0.410189D+01 -0.148958D+02
      3   0.473753D+01  0.896606D+01 -0.182996D+02  0.118773D+02  0.535830D+01
                76            77            78            79            80 
      1  -0.120361D+01 -0.199501D+01 -0.187991D+01  0.211978D+01  0.131691D+01
      2  -0.565611D+01  0.135038D+02  0.811499D+01 -0.300290D+02  0.696521D+01
      3   0.284450D+02  0.334760D+02 -0.127864D+02  0.684255D+01 -0.134604D+02
                81            82            83            84            85 
      1   0.212344D+01  0.525291D+01 -0.190349D+01 -0.426496D+01 -0.227098D+01
      2  -0.291655D+02  0.102297D+02 -0.439808D+01 -0.542325D+01 -0.499389D+01
      3  -0.100274D+02 -0.281467D+02 -0.475481D+01 -0.177945D+01  0.789278D+00
                86            87            88            89            90 
      1   0.531409D+01  0.388613D+01 -0.658875D+01  0.960290D+01 -0.945406D+01
      2   0.496869D+01  0.918934D+01 -0.132587D+02  0.122864D+02 -0.191050D+02
      3   0.114600D+02 -0.312907D+01 -0.181693D+01 -0.552190D+01 -0.888255D+01
                91            92            93            94            95 
      1  -0.145782D+01 -0.226201D+01  0.690411D+00 -0.384598D+01 -0.155982D+01
      2   0.101530D+02 -0.176247D+01  0.102463D+01 -0.896453D+01 -0.415108D+01
      3  -0.642165D+01  0.141081D+01  0.190278D+01  0.234692D+02  0.855122D+01
                96            97            98            99           100 
      1  -0.646676D+01  0.349256D+01  0.215274D+01  0.409754D+01  0.196411D+01
      2   0.884249D+01 -0.235834D+02  0.104676D+02 -0.447809D+01 -0.184542D+02
      3   0.764383D+01  0.872448D+01  0.485034D+01 -0.104254D+02  0.147852D+02
               101           102           103           104           105 
      1   0.767814D+01 -0.107507D+01  0.200710D+01  0.663749D+01  0.268832D+01
      2   0.699190D+01  0.455558D+01  0.121532D+02 -0.197893D+00 -0.115384D+02
      3  -0.426078D+01 -0.476377D+01 -0.184946D+01 -0.412394D+01 -0.219019D+01
               106           107           108           109           110 
      1  -0.277884D+01 -0.607397D+00 -0.355289D+01 -0.187024D+01 -0.490264D+01
      2  -0.728912D+01 -0.851769D+01  0.191265D+02 -0.527693D+01 -0.343653D+01
      3   0.260145D+00 -0.151123D+02  0.704223D+01 -0.984189D+01 -0.933424D+01
               111           112           113           114           115 
      1  -0.844507D+00 -0.643654D+00 -0.600122D+01 -0.335304D+01 -0.577185D+00
      2   0.828615D+01 -0.774062D+01 -0.788647D+01  0.118388D+02  0.103638D+02
      3   0.354149D+01 -0.915740D+00 -0.166691D+02  0.652427D+01 -0.468300D+01
               116           117           118           119           120 
      1   0.901119D+01  0.862952D+00  0.294348D+01 -0.925422D+00 -0.616952D+00
      2   0.100526D+02 -0.312367D+02  0.108705D+02 -0.779697D+01 -0.364344D+01
      3   0.167028D+02 -0.811680D+01 -0.562797D+00  0.353126D+01  0.443536D+01
               121           122           123           124           125 
      1   0.150316D+01  0.671278D+00 -0.669035D+01 -0.298832D+01  0.275222D+01
      2  -0.369918D+01  0.608252D+01  0.188642D+01 -0.685088D+01  0.236877D+01
      3   0.382772D+01  0.188251D+02 -0.558672D+01  0.832672D+01 -0.104558D+02
               126           127           128           129           130 
      1   0.592892D+01  0.351962D+00 -0.197941D+01 -0.105523D+01  0.906172D+00
      2   0.117748D+02  0.552203D+01  0.105341D+01  0.227025D+00  0.182345D+01
      3   0.179807D+00  0.456119D+01 -0.635733D+00 -0.797099D+00  0.435841D+01
               131           132           133           134           135 
      1  -0.377301D+00 -0.342794D+01 -0.577265D+00  0.206564D+01  0.179748D+01
      2   0.472838D+00  0.579019D+00 -0.310806D+01 -0.721907D-01 -0.162334D+01
      3  -0.129919D+01 -0.510033D+00 -0.173059D+01  0.175488D+01  0.680337D-01
               136           137           138           139           140 
      1   0.148882D+01  0.115981D+01  0.220976D+01 -0.476212D+00 -0.829029D+00
      2  -0.362315D+01  0.151389D+00 -0.568354D+00  0.435629D+00  0.613444D-01
      3  -0.329343D+01 -0.449462D+00 -0.165025D+01  0.166960D+01  0.744284D+00
               141           142           143           144           145 
      1  -0.292191D+01  0.504576D+00  0.340268D+01  0.241342D+01 -0.123027D+01
      2  -0.119036D+01 -0.479162D+01  0.139388D+00  0.109579D+01  0.685270D+01
      3   0.600995D+00 -0.259340D+01 -0.813829D+00 -0.161514D+01  0.357724D+01
               146           147           148           149           150 
      1  -0.274784D+01 -0.442608D+00 -0.819272D+00 -0.143513D+01 -0.208842D+01
      2   0.135423D+01 -0.271397D+00  0.340005D+01  0.659474D+00  0.551905D+00
      3  -0.851320D+00 -0.452618D+00  0.304072D+01 -0.108611D+01  0.131704D-01
               151           152           153           154           155 
      1   0.299056D+00  0.283573D+01  0.317175D+00 -0.352422D+00  0.148934D+01
      2  -0.267629D+01 -0.378658D+00 -0.118066D+01 -0.407624D+01  0.500312D+00
      3  -0.803523D+00  0.231156D+01 -0.201564D+00 -0.135308D+01 -0.508375D+00
               156           157           158           159           160 
      1   0.604657D+00  0.852646D-01 -0.134284D+01 -0.103541D+01 -0.152063D+01
      2  -0.324841D+00  0.401940D+00  0.191129D+00 -0.140176D+01 -0.527763D+01
      3  -0.243800D+00  0.121364D+01  0.639446D+00 -0.193659D+00 -0.720129D+00
               161           162           163           164           165 
      1   0.468618D+01 -0.121175D+01  0.110803D+01  0.104160D+01 -0.963863D+00
      2   0.227657D+00  0.192578D+01 -0.360648D+01 -0.500367D+00  0.210627D+01
      3  -0.149732D+01  0.262834D-01 -0.133331D+01 -0.529482D+01 -0.871965D+00
               166           167           168           169           170 
      1   0.145697D+01  0.565191D+01 -0.330010D+01 -0.927875D+00 -0.850313D+00
      2  -0.160746D+01 -0.221159D+01  0.295657D+01  0.128534D+01  0.243536D+01
      3  -0.220999D+01 -0.230082D+02 -0.133184D+01 -0.267657D+01  0.336875D+01
               171           172           173           174           175 
      1   0.111511D+00 -0.159702D+01  0.629070D+00 -0.972154D+00 -0.124254D+00
      2   0.124954D+01  0.415551D+01  0.767127D+00  0.503747D+01  0.117645D+01
      3  -0.149544D+01  0.279127D+01 -0.280796D+01  0.676194D+00 -0.191027D+01
               176           177           178           179           180 
      1  -0.550015D+00  0.246065D-01 -0.175440D+01  0.326881D+01 -0.733860D+01
      2   0.133732D+01 -0.314995D+01  0.850180D-01  0.213543D+01  0.211048D+02
      3  -0.561046D+00 -0.212605D+01  0.240400D+01 -0.395580D+01  0.638203D+00
               181           182           183           184           185 
      1  -0.186274D+01  0.921459D+00 -0.129881D+00  0.435200D+00 -0.136542D+00
      2  -0.734238D+01  0.706793D+00 -0.336220D+01  0.248005D+01 -0.403787D+01
      3  -0.496169D+01  0.143155D+01 -0.202912D+00  0.414500D+01  0.110098D+00
               186           187           188           189           190 
      1  -0.700760D+00 -0.828570D+00  0.357482D+01 -0.111626D+01  0.134696D+00
      2   0.411314D+01 -0.764969D+01  0.399271D+01 -0.305520D+02 -0.260762D+01
      3   0.366503D+01 -0.885212D+00  0.543540D+01 -0.364610D+01 -0.642391D+01
               191           192           193           194           195 
      1   0.726047D-01 -0.635269D+00  0.322600D+00  0.400220D+00 -0.356581D+01
      2  -0.786674D+00  0.322480D+01 -0.174577D+01 -0.688973D+01  0.786683D+01
      3  -0.797427D+01  0.557591D+00 -0.129953D+02 -0.440654D+02  0.624885D+01
               196           197           198           199           200 
      1  -0.563230D+00  0.486470D+00  0.431174D+00 -0.697719D+00  0.454519D+00
      2   0.446190D+01  0.493893D+01 -0.130705D+01  0.694407D+01  0.209195D+00
      3   0.162860D+01  0.868085D+01 -0.408619D+01  0.253776D+01 -0.350894D+01
               201           202           203           204           205 
      1  -0.904299D+00  0.154294D+00 -0.418147D+00 -0.546672D+00 -0.116757D+01
      2   0.970811D+01 -0.929018D+00  0.286422D+01 -0.452088D+01  0.147708D+02
      3   0.489928D+00 -0.380195D+01 -0.819923D+00 -0.289666D+01  0.494146D+00
               206           207           208           209           210 
      1   0.322855D+01 -0.277052D+01  0.845796D+00 -0.970771D+00  0.128487D-01
      2  -0.134517D+01  0.381020D+02 -0.128740D+02  0.430158D+01  0.128817D+02
      3  -0.786270D+01  0.324414D+01  0.138306D+02 -0.122517D+02 -0.554061D+01
               211           212           213           214           215 
      1  -0.327856D+00  0.100284D+01 -0.670829D+00 -0.473405D+00  0.190338D+01
      2   0.666981D+01 -0.638532D+01 -0.919171D+01  0.139242D+02 -0.561174D+01
      3  -0.128996D+02  0.980053D+01  0.693704D+01 -0.727355D+01  0.102402D+02
               216           217           218           219           220 
      1   0.990944D-01 -0.363707D+01  0.176826D+01  0.475887D+01  0.288913D+01
      2  -0.103633D+02 -0.638485D+01  0.468259D+01  0.764802D+01  0.404533D+01
      3   0.669042D+01  0.491405D+01 -0.102935D+02 -0.152866D+01 -0.323044D+01
               221           222           223           224           225 
      1  -0.302889D+01 -0.469115D+01  0.409491D+01 -0.222702D+01 -0.384403D+01
      2  -0.652906D+01 -0.677085D+01  0.585065D+01 -0.793771D+01 -0.704336D+01
      3   0.118367D+02  0.424426D+01 -0.109227D+01  0.936390D+01  0.502857D+01
               226           227           228           229           230 
      1   0.139363D+01 -0.294169D-01  0.231495D+01 -0.477521D+00  0.154237D+01
      2   0.280938D+01 -0.980436D+00  0.467443D+01 -0.267909D+00  0.319008D+01
      3   0.365724D+01 -0.265196D+01  0.218067D+00  0.480557D+00  0.348454D+01
               231           232           233           234           235 
      1  -0.395585D+01  0.266399D+01 -0.106474D+01  0.132847D+02 -0.108510D+01
      2  -0.395935D+01  0.148374D+01 -0.855292D+01  0.234593D+02 -0.403182D+01
      3  -0.304682D+01 -0.142884D+01 -0.101517D+02  0.757521D+01  0.264542D+02
               236           237           238           239           240 
      1  -0.393362D+00 -0.269718D+01  0.472915D-01 -0.851795D+00 -0.201568D+01
      2  -0.970295D+00 -0.150661D+01 -0.430609D+00 -0.154439D+01 -0.130122D+01
      3   0.104027D+02  0.361049D+01  0.101410D+02  0.655030D+01  0.215667D+01
               241           242           243           244           245 
      1  -0.186899D+01  0.113625D-01 -0.337997D-01 -0.184519D+01  0.878693D+00
      2  -0.398433D+01 -0.255128D+01 -0.282127D+00  0.447857D+01  0.485717D+00
      3   0.327593D+01  0.334353D+01  0.397960D+01  0.401888D+01 -0.247758D+01
               246           247           248           249           250 
      1  -0.699404D+00  0.551123D+00 -0.274813D+01  0.521274D+00 -0.104622D+01
      2   0.343320D+01  0.178635D+01  0.394510D+01 -0.589544D+01  0.112291D+01
      3   0.109957D+01 -0.102737D+00  0.451283D+01 -0.458547D+01 -0.138455D+00
               251           252           253           254           255 
      1   0.463948D+01 -0.240758D+01  0.362999D+01  0.127375D+01 -0.495277D+01
      2  -0.499908D+01  0.141767D+02 -0.596341D+01  0.441454D+01  0.124057D+02
      3  -0.628148D+01  0.553604D+01 -0.321703D+01 -0.141200D+02 -0.951495D+01
               256           257           258           259           260 
      1   0.305844D+01 -0.741942D+00  0.725988D+01 -0.295615D+01  0.123766D+02
      2   0.234551D+01  0.424666D+01 -0.895163D+01  0.918810D+01 -0.113607D+02
      3  -0.141981D+02 -0.791793D+01 -0.683408D+01 -0.814471D+01 -0.461525D+01
               261           262           263           264           265 
      1  -0.390441D+01 -0.218775D+01  0.599651D+00  0.301401D+01  0.229976D+01
      2  -0.112248D+01 -0.594344D+01  0.524242D+01  0.690253D+01  0.371687D+01
      3   0.142990D+02  0.601697D+01 -0.859974D+01 -0.269825D+01 -0.412572D+01
               266           267           268           269           270 
      1  -0.189966D+01 -0.263519D+01  0.309285D+01 -0.958114D+00 -0.444729D+01
      2  -0.496676D+01 -0.570817D+01  0.962922D+01 -0.979095D+01 -0.134388D+02
      3   0.988547D+01  0.306980D+01 -0.693225D+01  0.122724D+02  0.717663D+01
               271           272           273           274           275 
      1  -0.241196D+01 -0.114525D+01  0.417402D+01 -0.468233D+00 -0.496626D+00
      2   0.836058D+01 -0.521670D+01 -0.808882D+01 -0.229350D+01  0.496228D+01
      3  -0.855223D+01  0.763829D+01  0.767288D+01  0.549163D+01 -0.660909D+01
               276           277           278           279           280 
      1  -0.321553D+01  0.260172D+01 -0.391021D+00 -0.583033D+01  0.225287D+01
      2   0.510489D+01 -0.802409D+01  0.820262D+01  0.132847D+02 -0.186766D+01
      3  -0.518439D+01  0.660844D+01 -0.809266D+01 -0.111319D+02 -0.318490D+01
               281           282           283           284           285 
      1  -0.713409D+00  0.201543D+01 -0.655532D-01  0.666654D+01 -0.729731D+01
      2  -0.215017D+00 -0.140293D+01 -0.854135D+00 -0.494032D+01  0.559075D+01
      3   0.265828D+01 -0.132212D+01  0.285982D+01 -0.949089D+01  0.518659D+01
               286           287           288           289           290 
      1   0.157592D+01 -0.501275D+01  0.111152D+02 -0.138816D+01  0.200089D+01
      2  -0.295361D+01  0.539137D+01 -0.914250D+01 -0.196440D+01  0.350403D+00
      3  -0.339190D+01  0.106477D+02 -0.668500D+01  0.728768D+01 -0.631562D+01
               291           292           293           294           295 
      1  -0.339398D+01  0.597007D+00  0.586829D+00 -0.209658D+01 -0.226271D+01
      2   0.559795D+01 -0.148789D+00 -0.445742D+00  0.222966D+01  0.172292D+01
      3   0.119201D+01 -0.310690D+00 -0.166610D+01 -0.819106D-02  0.222656D+01
               296           297 
      1  -0.426555D+00 -0.123243D+01
      2   0.258898D+01  0.323271D+01
      3  -0.153393D+01 -0.108242D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.636434D+01 -0.101986D+02  0.189505D+02  0.143049D+02 -0.139585D+02
      2  -0.406776D+01  0.312278D+01 -0.170519D+01 -0.901525D+00  0.212395D+02
      3   0.104321D+02  0.707582D+01 -0.172454D+02 -0.134034D+02 -0.728102D+01
      4  -0.994731D+01 -0.561144D+01  0.830649D+01  0.148241D+01  0.137959D+00
      5   0.775160D+01  0.649697D+01  0.363213D+01  0.896559D+01  0.302995D+01
      6   0.576809D+01 -0.238836D+01  0.257858D+01  0.644134D+01  0.278135D+00
                 6             7             8             9            10 
      1   0.307432D+01 -0.356229D+02 -0.134067D+02  0.622516D+01  0.596251D+02
      2  -0.515147D+01  0.124971D+02  0.789425D+01 -0.876954D+01 -0.231021D+02
      3   0.207715D+01  0.231257D+02  0.551248D+01  0.254438D+01 -0.365230D+02
      4   0.370902D+01 -0.313955D+01  0.152237D+01 -0.564730D+01  0.257745D+01
      5  -0.724592D+01  0.577905D+01 -0.673789D+01  0.281880D+01  0.479963D+01
      6   0.653970D+00 -0.109560D+02 -0.676181D+01  0.695432D+01  0.256282D+01
                11            12            13            14            15 
      1   0.118819D+01  0.577923D+01 -0.478300D+01 -0.525051D+01  0.779295D+01
      2   0.165255D+01 -0.555629D+01  0.416379D+01  0.654919D+01 -0.358584D+01
      3  -0.284074D+01 -0.222943D+00  0.619212D+00 -0.129868D+01 -0.420711D+01
      4   0.185641D+01 -0.458255D+01  0.956062D+01  0.322512D+01  0.718306D+00
      5  -0.459479D+01  0.324389D+01  0.122687D+02 -0.854677D-01  0.153079D+01
      6  -0.160535D+01  0.310066D+01  0.455859D+01  0.342008D+01  0.108690D+02
                16            17            18            19            20 
      1   0.800991D+01  0.101416D+02 -0.128227D+02  0.124228D+02  0.174170D+02
      2   0.214864D+01  0.470634D+01  0.227116D+01  0.285193D+01 -0.134840D+02
      3  -0.101585D+02 -0.148480D+02  0.105515D+02 -0.152747D+02 -0.393304D+01
      4   0.184733D+02  0.684282D+00 -0.358951D+00  0.307028D+01  0.353472D+01
      5  -0.617772D+01  0.170317D+00  0.418156D+01 -0.129141D+02  0.196122D+01
      6   0.496813D+01  0.570162D+01 -0.414159D+01 -0.275151D+01  0.424935D+01
                21            22            23            24            25 
      1  -0.158780D+02 -0.123569D+02 -0.337216D+01 -0.150419D+02  0.153040D+02
      2   0.113401D+02  0.293494D+01  0.110428D+02 -0.606577D+01 -0.434792D+01
      3   0.453793D+01  0.942194D+01 -0.767063D+01  0.211077D+02 -0.109560D+02
      4   0.384241D+00  0.122967D+02 -0.582256D+01 -0.813088D+00  0.285868D+01
      5  -0.105376D+02 -0.110085D+01 -0.725713D+00  0.743190D-01  0.709397D+01
      6  -0.593299D+01 -0.387992D+01 -0.258606D+01  0.778768D+00  0.129806D+02
                26            27            28            29            30 
      1  -0.686842D+01  0.143504D+01  0.120109D+02  0.445855D+01  0.819950D+00
      2  -0.105467D+01 -0.204814D+01 -0.292961D+01 -0.299311D+01 -0.323132D+01
      3   0.792309D+01  0.613102D+00 -0.908132D+01 -0.146544D+01  0.241137D+01
      4  -0.250093D+01  0.882969D+01  0.372831D+01  0.364168D+01 -0.193153D+01
      5   0.824377D+01 -0.663621D+01  0.815745D+01 -0.124553D+01  0.571025D+01
      6   0.156482D+01  0.124344D+02  0.817734D+01  0.338821D+01 -0.865388D+00
                31            32            33            34            35 
      1  -0.954415D+01 -0.681356D+01  0.938335D+01  0.585290D+00  0.117556D+02
      2  -0.116662D+01  0.245879D+01 -0.396695D+01  0.467981D+01  0.324198D+01
      3   0.107108D+02  0.435478D+01 -0.541639D+01 -0.526510D+01 -0.149975D+02
      4   0.990103D+01  0.286123D+01  0.305508D+01  0.204126D+02  0.200204D+01
      5   0.177649D+02  0.407184D+01  0.593071D+00 -0.359621D+01 -0.341205D+01
      6   0.394801D+01  0.518025D+01  0.100311D+02  0.230034D+01  0.595292D+01
                36            37            38            39            40 
      1  -0.148217D+02  0.391463D+01 -0.775017D+01  0.205040D+02  0.109662D+02
      2   0.260578D+01 -0.873288D+01  0.188683D+01 -0.432631D+01  0.107621D+01
      3   0.122159D+02  0.481825D+01  0.586335D+01 -0.161777D+02 -0.120424D+02
      4  -0.373276D+01 -0.114609D+02 -0.466754D+01  0.576470D+01  0.502711D+01
      5  -0.977395D+00  0.863820D+01  0.362080D+01  0.397156D+01  0.441952D+01
      6  -0.603043D+01  0.396133D+01 -0.329082D+01 -0.197758D+01  0.336607D+01
                41            42            43            44            45 
      1  -0.623439D+01 -0.789455D+00 -0.207974D+02 -0.109897D+02  0.851421D+01
      2   0.121480D+02 -0.188356D+01  0.379987D+01  0.327515D+01 -0.745123D+01
      3  -0.591359D+01  0.267301D+01  0.169976D+02  0.771451D+01 -0.106298D+01
      4   0.651904D+00  0.682234D+00 -0.660802D+01 -0.337163D+01 -0.568668D+01
      5   0.228914D+01 -0.815726D+01  0.777185D+01 -0.520199D+01  0.152304D+01
      6   0.221904D+01  0.232004D+01 -0.126550D+02 -0.444738D+01  0.716820D+01
                46            47            48            49            50 
      1  -0.488542D+01  0.104256D+02 -0.136475D+02 -0.230779D+02  0.193324D+01
      2   0.994617D+01 -0.601495D+01  0.913948D+01  0.835791D+01  0.415347D+01
      3  -0.506074D+01 -0.441068D+01  0.450802D+01  0.147200D+02 -0.608670D+01
      4   0.662018D+01  0.683013D+01 -0.873690D+00  0.129116D+02 -0.455066D+01
      5  -0.129503D+02  0.111857D+01 -0.842917D+01 -0.683686D+01 -0.363041D+00
      6   0.479910D+00  0.287068D+01 -0.491543D+01 -0.262361D+01  0.194490D+01
                51            52            53            54            55 
      1  -0.205040D+02  0.243767D+02 -0.566291D+01  0.466184D+00 -0.569673D+02
      2  -0.188162D+00 -0.654887D+01 -0.116905D+01  0.762673D+00  0.206131D+02
      3   0.206922D+02 -0.178279D+02  0.683196D+01 -0.122886D+01  0.363542D+02
      4   0.346588D+00  0.309409D+01 -0.118092D+01  0.523258D+01  0.652210D+01
      5   0.559540D+00  0.472229D+01  0.495591D+01 -0.649419D+01  0.288893D+01
      6   0.432557D+01  0.850146D+01  0.289990D+01  0.147656D+02 -0.135614D-01
                56            57            58            59            60 
      1   0.991255D+01  0.287916D+01  0.404440D+02 -0.916673D+01 -0.486818D+01
      2  -0.726639D+01  0.430591D+00 -0.309715D+02 -0.129583D+02  0.716183D+00
      3  -0.264615D+01 -0.330975D+01 -0.947245D+01  0.221250D+02  0.415200D+01
      4  -0.157957D+02 -0.201411D+01 -0.335110D+02 -0.429357D+02  0.155978D+01
      5  -0.189046D+01 -0.669395D+01 -0.485275D+01  0.289865D+01  0.558190D+01
      6  -0.189159D+01 -0.108031D+01 -0.366616D+01 -0.142466D+01  0.156203D+01
                61            62            63            64            65 
      1   0.376641D+02 -0.733078D+01 -0.146547D+00 -0.164613D+02 -0.334019D+02
      2  -0.101100D+02  0.512378D+01  0.133708D+02  0.141876D+02  0.138007D+02
      3  -0.275541D+02  0.220700D+01 -0.132242D+02  0.227374D+01  0.196012D+02
      4  -0.667562D+01  0.107722D+02  0.191144D+01 -0.369107D+02  0.156833D+02
      5  -0.191122D+02  0.202836D+01 -0.424009D+02 -0.112632D+02  0.357818D+01
      6  -0.185610D+01  0.645480D-01 -0.593337D+01  0.238193D+01  0.179215D+01
                66            67            68            69            70 
      1  -0.842364D+01 -0.734331D+02  0.276375D+02 -0.353962D+00 -0.408695D+02
      2   0.617973D+01  0.379316D+02 -0.154639D+02  0.270859D+00  0.162373D+02
      3   0.224391D+01  0.355015D+02 -0.121736D+02  0.831034D-01  0.246323D+02
      4   0.341107D+01  0.274672D+02  0.368818D+02 -0.412423D+01  0.462119D+01
      5   0.162954D+02  0.532426D+01 -0.520813D+01 -0.131126D+02  0.341613D+02
      6  -0.535416D+00 -0.135920D+01  0.281248D+01 -0.528217D+00 -0.168409D+01
                71            72            73            74            75 
      1   0.127028D+01  0.276046D+02  0.223974D+02  0.412553D+02  0.243651D+02
      2  -0.132074D+01 -0.767775D+01 -0.975383D+01 -0.236194D+02 -0.110084D+02
      3   0.504627D-01 -0.199268D+02 -0.126436D+02 -0.176358D+02 -0.133567D+02
      4  -0.901163D+01 -0.144981D+02  0.421347D+02 -0.206651D+02 -0.806843D+01
      5  -0.138500D+02  0.637425D+02  0.273815D+02 -0.886992D+01 -0.318163D+02
      6   0.583574D+01  0.403231D+00 -0.160784D+00  0.122975D+01 -0.242049D+00
                76            77            78            79            80 
      1   0.584636D+02 -0.298008D+02 -0.125646D+02  0.398944D+02 -0.108554D+02
      2  -0.352221D+02  0.644310D+01  0.783410D+01 -0.161791D+02  0.752995D+01
      3  -0.232414D+02  0.233577D+02  0.473049D+01 -0.237153D+02  0.332542D+01
      4  -0.382355D+02 -0.621243D+02  0.236884D+02 -0.982087D+01  0.237578D+02
      5  -0.122745D+02  0.261835D+02  0.176792D+02 -0.524930D+02  0.148215D+02
      6   0.383562D+01  0.374002D+01 -0.546998D+00  0.459536D+00 -0.141297D+01
                81            82            83            84            85 
      1  -0.417569D+02  0.392631D+02  0.290754D+02  0.203458D+02  0.349159D+02
      2   0.279301D+02 -0.302218D+02 -0.925684D+01 -0.787626D+01 -0.128132D+02
      3   0.138268D+02 -0.904124D+01 -0.198185D+02 -0.124695D+02 -0.221027D+02
      4   0.150779D+02  0.267275D+02 -0.253585D+02 -0.140732D+02 -0.310023D+02
      5  -0.559553D+02  0.204413D+02 -0.102018D+02 -0.149771D+02 -0.953850D+01
      6  -0.281472D+01 -0.132318D+02  0.348369D+01  0.845776D+01  0.525726D+01
                86            87            88            89            90 
      1  -0.270795D+02 -0.373453D+01  0.274922D+02 -0.749554D+01 -0.100321D+02
      2   0.206824D+02 -0.371460D+01 -0.779127D+01 -0.244495D+01  0.416913D+01
      3   0.639706D+01  0.744913D+01 -0.197010D+02  0.994049D+01  0.586294D+01
      4  -0.917866D+01  0.118066D+02 -0.149447D+02  0.196870D+02  0.309112D+02
      5   0.113363D+02  0.194821D+02 -0.250918D+02  0.266002D+02 -0.384974D+02
      6  -0.967911D+01 -0.898848D+01  0.119605D+02 -0.133507D+02  0.174632D+02
                91            92            93            94            95 
      1   0.376602D+01  0.156396D+02  0.847959D+01  0.177975D+02 -0.253525D+01
      2  -0.217416D+01 -0.118086D+02 -0.123416D+01 -0.185936D+02 -0.274703D+01
      3  -0.159186D+01 -0.383096D+01 -0.724543D+01  0.796141D+00  0.528228D+01
      4   0.117268D+02 -0.735579D+01 -0.227284D+01 -0.317268D+02 -0.176988D+02
      5   0.509619D+01 -0.235242D+01 -0.559606D+01 -0.172478D+02 -0.146317D+02
      6  -0.960380D-01 -0.480009D+01 -0.178766D+01 -0.103572D+02 -0.869983D+01
                96            97            98            99           100 
      1  -0.717543D+01  0.207122D+02 -0.836612D+01 -0.827432D+01 -0.737101D+01
      2  -0.584787D+01 -0.754962D+01 -0.478631D+01  0.121919D+02  0.364346D+01
      3   0.130233D+02 -0.131626D+02  0.131524D+02 -0.391758D+01  0.372755D+01
      4  -0.141561D+02 -0.148094D+02 -0.619447D+01  0.197394D+02 -0.851000D+01
      5   0.146457D+02 -0.190008D+02  0.199979D+02 -0.162123D+02  0.125587D+02
      6  -0.841361D+01  0.199905D+01 -0.116417D+01  0.621988D+01  0.290645D+01
               101           102           103           104           105 
      1  -0.103167D+02  0.223390D+01 -0.228452D+02  0.380391D+01  0.243572D+02
      2   0.114986D+02 -0.675888D+01  0.234956D+02 -0.126976D+02 -0.215616D+02
      3  -0.118184D+01  0.452498D+01 -0.650450D+00  0.889373D+01 -0.279562D+01
      4  -0.745400D+01  0.120513D+02 -0.540989D+01  0.838630D+01 -0.601187D+01
      5   0.123873D+02 -0.244813D+01  0.402366D+02 -0.609694D+01 -0.300519D+02
      6   0.407475D+01 -0.145223D+01 -0.399349D+01  0.550473D+01 -0.422578D-01
               106           107           108           109           110 
      1   0.268242D+02  0.137508D+02 -0.359806D+01  0.487685D+02  0.160460D+02
      2  -0.180058D+02 -0.825776D+01  0.108148D+02 -0.305332D+02 -0.968405D+01
      3  -0.881835D+01 -0.549301D+01 -0.721670D+01 -0.182354D+02 -0.636193D+01
      4   0.187675D+02  0.175002D+02 -0.207510D+02  0.203595D+02  0.212499D+02
      5  -0.130399D+02 -0.202962D+02  0.291959D+02 -0.358821D+02 -0.110582D+02
      6  -0.416979D+01 -0.478808D+01  0.377908D+01 -0.462846D+01 -0.456482D+01
               111           112           113           114           115 
      1  -0.245811D+02  0.341083D+02  0.597575D+01 -0.117257D+02 -0.433394D+02
      2   0.178421D+02 -0.201738D+02 -0.143180D+01  0.125831D+02  0.295424D+02
      3   0.673893D+01 -0.139344D+02 -0.454394D+01 -0.857312D+00  0.137970D+02
      4  -0.853948D+01  0.213573D+02  0.343287D+02 -0.145744D+02 -0.100509D+02
      5   0.234260D+02 -0.244638D+02 -0.150045D+02  0.268810D+02  0.447296D+02
      6   0.370460D+01 -0.462279D+01 -0.858147D+01  0.105840D+02  0.123103D+01
               116           117           118           119           120 
      1  -0.303474D+01  0.108556D+02  0.178724D+01 -0.632318D+01  0.161558D+02
      2   0.661781D+01 -0.302126D+02  0.178653D+01  0.161388D+01 -0.677951D+01
      3  -0.358307D+01  0.193569D+02 -0.357377D+01  0.470929D+01 -0.937626D+01
      4  -0.302993D+02  0.201424D+02  0.363328D+00 -0.466103D+01 -0.192005D+02
      5   0.196244D+02 -0.642423D+02  0.223558D+02 -0.155600D+02 -0.919302D+01
      6   0.131068D+02 -0.863333D+01 -0.899481D+01  0.760887D+01  0.486727D+01
               121           122           123           124           125 
      1  -0.810252D+01 -0.145425D+02 -0.158899D+02  0.316084D+02 -0.209825D+02
      2  -0.346695D+01  0.325388D+02  0.793551D+01 -0.112830D+02  0.463378D+01
      3   0.115695D+02 -0.179963D+02  0.795435D+01 -0.203254D+02  0.163487D+02
      4   0.151127D+02 -0.389207D+02  0.173667D+02 -0.358410D+02  0.331335D+02
      5  -0.213167D+02  0.191642D+02  0.632623D+01 -0.115263D+02  0.667042D+01
      6   0.752106D+01 -0.312876D+01  0.388440D+01  0.757623D+01  0.142194D+01
               126           127           128           129           130 
      1  -0.118773D+02  0.228591D+01 -0.407442D+01  0.216059D+01 -0.186031D+00
      2   0.551557D+01  0.338722D+00  0.565194D+01 -0.712450D+00  0.965134D+00
      3   0.636172D+01 -0.262463D+01 -0.157752D+01 -0.144814D+01 -0.779104D+00
      4   0.883201D+01  0.107745D+02  0.969030D+01 -0.697444D+01  0.882275D+01
      5   0.256669D+02 -0.126754D+02 -0.798372D+01  0.103784D+02 -0.104080D+02
      6  -0.101204D+02 -0.839180D+01 -0.775724D+01  0.784905D+01 -0.808532D+01
               131           132           133           134           135 
      1  -0.873610D+01  0.801762D+01  0.417960D+01  0.108853D+02 -0.131017D+02
      2   0.831871D+01 -0.280585D+01 -0.882104D+00 -0.719650D+01  0.192188D+01
      3   0.417393D+00 -0.521177D+01 -0.329749D+01 -0.368876D+01  0.111798D+02
      4   0.106266D+02 -0.726160D+01 -0.769155D+01 -0.785245D+01  0.797204D+01
      5  -0.879479D+01  0.104504D+02  0.110179D+02  0.910273D+01 -0.144513D+02
      6  -0.120110D+02  0.117721D+02  0.888050D+01  0.138132D+02 -0.154933D+02
               136           137           138           139           140 
      1  -0.272073D+01  0.211472D+01 -0.609977D+01  0.358218D+01 -0.775506D+01
      2  -0.341422D+01  0.938830D-01 -0.404313D+01  0.221185D+00  0.234204D+01
      3   0.613495D+01 -0.220861D+01  0.101429D+02 -0.380336D+01  0.541302D+01
      4  -0.482284D+01  0.405868D+01 -0.536477D+01  0.322194D+01 -0.362178D+01
      5   0.911631D+01 -0.376767D+01  0.113942D+02 -0.393991D+01  0.308042D+01
      6  -0.483072D+01  0.356979D+01 -0.522262D+01  0.363178D+01 -0.817355D+01
               141           142           143           144           145 
      1   0.127585D+02 -0.722238D+01  0.123639D+02 -0.279984D+02  0.470236D+01
      2   0.711009D+00 -0.219033D+01 -0.255262D+01 -0.625384D+01 -0.250661D+01
      3  -0.134695D+02  0.941270D+01 -0.981126D+01  0.342522D+02 -0.219575D+01
      4   0.414690D+01 -0.626846D+01  0.669861D+01 -0.947957D+01  0.492461D+01
      5  -0.464275D+01  0.107970D+02 -0.578742D+01  0.157795D+02 -0.967302D+01
      6   0.111353D+02 -0.767067D+01  0.134220D+02 -0.207234D+02 -0.331333D+01
               146           147           148           149           150 
      1  -0.179599D+01  0.141531D+01 -0.177369D+01 -0.558247D+01  0.625089D+01
      2   0.205026D+01  0.100704D+01  0.237449D+00  0.397941D+01 -0.372705D+00
      3  -0.254268D+00 -0.242235D+01  0.153624D+01  0.160306D+01 -0.587818D+01
      4   0.512282D+01 -0.277404D+01  0.488476D+01  0.567819D+01 -0.317230D+01
      5  -0.388195D+01  0.755238D+01 -0.663485D+01 -0.551955D+01  0.776441D+01
      6  -0.325623D+01  0.375952D+01 -0.391661D+01 -0.665611D+01  0.674259D+01
               151           152           153           154           155 
      1   0.282184D+01  0.679356D+01 -0.103428D+02 -0.603446D+00  0.270673D+00
      2   0.103953D+01 -0.316815D+01 -0.135033D+01 -0.427864D+01  0.117770D+01
      3  -0.386137D+01 -0.362541D+01  0.116932D+02  0.488209D+01 -0.144837D+01
      4  -0.424454D+01 -0.439693D+01  0.376626D+01 -0.342436D+01  0.300700D+01
      5   0.947237D+01  0.554248D+01 -0.116357D+02  0.757314D+01 -0.290271D+01
      6   0.517116D+01  0.802040D+01 -0.932218D+01 -0.186787D+01  0.211080D+01
               156           157           158           159           160 
      1  -0.410382D+01  0.275273D+01 -0.571426D+01  0.101728D+02 -0.244503D+01
      2  -0.494269D+01  0.974599D-01  0.848961D+00  0.211992D+01 -0.528377D+01
      3   0.904651D+01 -0.285019D+01  0.486530D+01 -0.122927D+02  0.772880D+01
      4  -0.329911D+01  0.244737D+01 -0.260335D+01  0.332007D+01 -0.500049D+01
      5   0.102083D+02 -0.298765D+01  0.292617D+01 -0.384450D+01  0.106716D+02
      6  -0.143697D+01  0.240676D+01 -0.500150D+01  0.633954D+01 -0.378544D+01
               161           162           163           164           165 
      1   0.711528D+01 -0.230676D+02  0.154830D+02  0.648488D+01 -0.203263D+01
      2   0.299447D+00 -0.101697D+02 -0.180171D+01  0.481345D+00  0.747978D+00
      3  -0.741473D+01  0.332373D+02 -0.136812D+02 -0.696623D+01  0.128465D+01
      4   0.523917D+01 -0.690905D+01  0.141025D+02  0.184246D+02  0.191900D+01
      5  -0.452305D+01  0.159333D+02 -0.141055D+01  0.237228D+01  0.375041D+01
      6   0.832849D+01 -0.109359D+02  0.839783D+00  0.162450D+01  0.891206D+00
               166           167           168           169           170 
      1   0.141033D+02 -0.110972D+02 -0.254801D+00 -0.163496D+02  0.562899D+00
      2   0.329861D+01  0.328915D+02  0.476607D+00  0.496467D+01 -0.330242D+01
      3  -0.174020D+02 -0.217943D+02 -0.221806D+00  0.113850D+02  0.273952D+01
      4   0.296559D+02  0.565092D+02  0.311114D+01 -0.395626D+01 -0.813390D+01
      5   0.356739D+01  0.189240D+01  0.585692D+01  0.505913D+01  0.552667D+01
      6   0.318503D+01  0.702912D+01  0.580756D+01  0.174552D+01  0.532100D+01
               171           172           173           174           175 
      1  -0.187548D+01  0.695602D+01 -0.212792D+01  0.558743D+01 -0.114150D+02
      2   0.104470D+01 -0.763771D+01  0.127949D+01 -0.553255D+01  0.691813D+01
      3   0.830785D+00  0.681687D+00  0.848431D+00 -0.548808D-01  0.449689D+01
      4   0.559122D+01 -0.107421D+01  0.488568D+01  0.244241D+01  0.460303D+01
      5   0.169215D+01  0.107706D+02  0.173642D+01  0.142325D+02 -0.267707D+01
      6  -0.631745D-01  0.811660D+00  0.130639D+01  0.142810D+01  0.815532D+00
               176           177           178           179           180 
      1  -0.842894D+00 -0.457877D+00  0.131376D+02 -0.254969D+01 -0.124668D+02
      2   0.103872D+01  0.239724D+01 -0.127196D+02  0.844181D+00 -0.152443D+02
      3  -0.195823D+00 -0.193937D+01 -0.418019D+00  0.170550D+01  0.277110D+02
      4   0.241899D+01  0.428339D+01  0.336009D+01  0.780101D+01  0.523243D+01
      5   0.441731D+01 -0.669068D+01  0.190445D+02  0.504211D+01  0.455317D+02
      6   0.248027D+00  0.387764D+01  0.363289D+01  0.612271D+01  0.108061D+02
               181           182           183           184           185 
      1  -0.375275D+01  0.675295D+01 -0.872878D+01  0.143315D+02 -0.781629D+01
      2  -0.142217D+01 -0.264318D+01  0.265255D+01 -0.708345D+01  0.374939D+01
      3   0.517492D+01 -0.410977D+01  0.607624D+01 -0.724800D+01  0.406690D+01
      4   0.729595D+01 -0.186337D+01 -0.710361D+00  0.136388D+00 -0.780738D+00
      5  -0.632326D+01 -0.668343D+00 -0.655568D+00  0.712843D+00 -0.637235D+01
      6  -0.201109D+00  0.237381D-01 -0.100465D+00  0.508696D+00 -0.208076D+01
               186           187           188           189           190 
      1   0.186432D+01 -0.200364D+02  0.824228D-01 -0.204579D+02  0.134592D+02
      2   0.137982D+00  0.963238D+01  0.251794D+01 -0.893618D+01 -0.405429D+01
      3  -0.200231D+01  0.104041D+02 -0.260036D+01  0.293940D+02 -0.940493D+01
      4  -0.602123D+01 -0.724861D+00 -0.988204D+01  0.679797D+01  0.145616D+02
      5   0.687385D+01  0.170606D+01  0.670600D+01 -0.547385D+02 -0.542443D+01
      6   0.702340D+01 -0.219975D+00  0.390467D+01 -0.174161D+01 -0.119827D+01
               191           192           193           194           195 
      1   0.132242D+02 -0.520898D+01  0.371154D+02  0.210986D+02 -0.135146D+01
      2  -0.433929D+01  0.233117D+01 -0.130527D+02  0.681218D+01 -0.620602D+00
      3  -0.888492D+01  0.287781D+01 -0.240627D+02 -0.279108D+02  0.197206D+01
      4   0.198750D+02 -0.231260D+01  0.438030D+02  0.886588D+02 -0.126463D+02
      5  -0.232575D+01  0.658347D+01 -0.534796D+01 -0.141354D+02  0.148560D+02
      6  -0.513848D+00  0.530962D+00 -0.239977D+01 -0.449135D+01  0.615173D+01
               196           197           198           199           200 
      1  -0.126452D+02 -0.181282D+01  0.771506D+01  0.222502D+02 -0.390272D+01
      2   0.577772D+01 -0.801945D+00 -0.429217D+01 -0.142505D+02  0.249411D+01
      3   0.686751D+01  0.261477D+01 -0.342290D+01 -0.799973D+01  0.140861D+01
      4  -0.638085D+01 -0.166724D+02  0.956599D+01 -0.331268D+01  0.614289D+01
      5   0.139015D+02  0.103633D+02 -0.303549D+01  0.156768D+02  0.187926D+00
      6   0.224957D+01  0.603258D+01 -0.262887D+01  0.413818D+00 -0.101069D-01
               201           202           203           204           205 
      1   0.143885D+02 -0.130077D+02  0.641731D+01 -0.135545D+01  0.445351D+02
      2  -0.904344D+01  0.774930D+01 -0.269707D+01  0.150649D+01 -0.280606D+02
      3  -0.534505D+01  0.525840D+01 -0.372024D+01 -0.151036D+00 -0.164745D+02
      4   0.420984D+00  0.115723D+02  0.271365D+01  0.657169D+01  0.274080D+01
      5   0.218250D+02 -0.353450D+01  0.606406D+01 -0.886457D+01  0.439781D+02
      6   0.109901D+01  0.155823D+01 -0.115806D+01  0.385962D+01  0.105042D+01
               206           207           208           209           210 
      1   0.272412D+01  0.257202D+02  0.938672D+02 -0.246651D+02 -0.287860D+02
      2  -0.102387D+01 -0.264625D+02 -0.491010D+02  0.127982D+02  0.159151D+02
      3  -0.170025D+01  0.742378D+00 -0.447662D+02  0.118669D+02  0.128709D+02
      4   0.146704D+02 -0.316513D+01 -0.253041D+02  0.211345D+02  0.924913D+01
      5  -0.227679D+01  0.761997D+02 -0.328877D+02  0.996639D+01  0.259063D+02
      6   0.449549D+01  0.319572D+01  0.141737D+01 -0.742140D+00 -0.181810D+00
               211           212           213           214           215 
      1  -0.592263D+02  0.219282D+02  0.136382D+02 -0.568490D+02  0.106751D+02
      2   0.303366D+02 -0.852344D+01 -0.777684D+01  0.313393D+02 -0.645172D+01
      3   0.288897D+02 -0.134048D+02 -0.586137D+01  0.255097D+02 -0.422342D+01
      4   0.297824D+02 -0.181431D+02 -0.133082D+02  0.129972D+02 -0.179676D+02
      5   0.180991D+02 -0.136903D+02 -0.180354D+02  0.377547D+02 -0.119295D+02
      6  -0.250188D+01  0.220905D+01  0.252576D+01 -0.165452D+01  0.300962D+01
               216           217           218           219           220 
      1   0.271295D+02  0.323337D+02 -0.172780D+02 -0.117586D+02 -0.165506D+02
      2  -0.185951D+02 -0.803791D+01 -0.177293D+01  0.369355D+01 -0.142281D+01
      3  -0.853441D+01 -0.242958D+02  0.190509D+02  0.806500D+01  0.179734D+02
      4  -0.114172D+02 -0.386993D+02  0.381085D+02  0.145249D+02  0.348236D+02
      5  -0.232421D+02 -0.178754D+02  0.116874D+02  0.159973D+02  0.110582D+02
      6   0.224385D+01  0.880680D+01 -0.714619D+01 -0.861146D+01 -0.723403D+01
               221           222           223           224           225 
      1   0.885910D+01  0.314398D+01 -0.202280D+02  0.513818D+01  0.702927D+01
      2   0.113805D+02  0.361713D+01  0.687715D+01  0.507516D+01 -0.263145D+01
      3  -0.202396D+02 -0.676111D+01  0.133509D+02 -0.102133D+02 -0.439781D+01
      4  -0.412781D+02 -0.163384D+02  0.236319D+02 -0.284173D+02 -0.203607D+02
      5  -0.151496D+02 -0.130512D+02  0.196467D+02 -0.180312D+02 -0.165271D+02
      6   0.107618D+02  0.966101D+01 -0.985751D+01  0.118686D+02  0.951927D+01
               226           227           228           229           230 
      1   0.284208D+01 -0.544541D+01  0.580428D+01 -0.322566D+01 -0.156216D+01
      2  -0.106244D+01  0.109629D+01 -0.384377D+01 -0.206376D+00  0.351120D+01
      3  -0.177964D+01  0.434912D+01 -0.196051D+01  0.343204D+01 -0.194904D+01
      4  -0.866313D+01  0.981042D+01 -0.426673D+01  0.790703D+01 -0.992475D+01
      5   0.783510D+01 -0.294166D+01  0.119811D+02 -0.133175D+01  0.736709D+01
      6  -0.252339D+01  0.135589D+01 -0.427009D+01  0.181175D+01 -0.518286D+01
               231           232           233           234           235 
      1   0.331348D+01  0.133577D+02  0.593784D+01 -0.430633D+01 -0.550722D+02
      2  -0.385235D+01 -0.739371D+01 -0.738592D+01 -0.492469D+01  0.310968D+02
      3   0.538870D+00 -0.596403D+01  0.144808D+01  0.923103D+01  0.239754D+02
      4   0.764567D+01 -0.108827D+02  0.213588D+02 -0.214362D+02  0.884827D+01
      5  -0.840044D+01  0.165091D+02 -0.188460D+02  0.490748D+02 -0.499954D+01
      6   0.101545D+02 -0.705631D+01  0.140077D+02 -0.258160D+02  0.441000D+01
               236           237           238           239           240 
      1  -0.206210D+02 -0.964300D+01 -0.146325D+02 -0.139168D+02 -0.304316D+01
      2   0.185835D+02  0.531496D+01  0.123548D+02  0.133731D+02  0.304218D+01
      3   0.203752D+01  0.432804D+01  0.227766D+01  0.543709D+00  0.975263D-03
      4  -0.897452D+01  0.172569D+01  0.177922D+01 -0.293074D+01 -0.156008D+01
      5  -0.823987D+00 -0.310077D+01 -0.741300D+00 -0.228378D+01 -0.317744D+01
      6   0.239352D+01  0.436142D+01  0.132182D+01  0.211285D+01  0.380291D+01
               241           242           243           244           245 
      1  -0.100902D+02 -0.468853D+01 -0.652809D+01  0.185281D+01 -0.562980D+01
      2   0.477416D+01  0.426984D+01  0.310469D+01 -0.575661D+01  0.406039D+01
      3   0.531606D+01  0.418692D+00  0.342340D+01  0.390380D+01  0.156941D+01
      4   0.198642D+01 -0.443565D+01 -0.466625D+01 -0.681623D+01  0.548618D+01
      5   0.136498D+01 -0.540506D+01  0.117440D+01  0.108804D+02 -0.283385D+01
      6   0.189498D+01  0.489056D+01  0.682432D+00 -0.353575D+01  0.127027D+01
               246           247           248           249           250 
      1   0.470287D+01 -0.898887D+01 -0.115453D+01  0.405409D+01  0.587565D+01
      2  -0.514416D+01  0.591563D+01 -0.150146D+01  0.313222D+01 -0.793490D+01
      3   0.441290D+00  0.307324D+01  0.265599D+01 -0.718632D+01  0.205925D+01
      4  -0.239339D+01  0.826046D+01 -0.941605D+01  0.925550D+01 -0.276883D+01
      5   0.121289D+02 -0.431746D+01  0.969896D+01 -0.142185D+02  0.177513D+02
      6  -0.109150D+01  0.286587D+01 -0.598584D+01  0.773885D+01 -0.184326D+01
               251           252           253           254           255 
      1   0.159449D+01 -0.605542D+01 -0.399251D+02 -0.334414D+02 -0.334641D+02
      2   0.502266D+01 -0.149411D+02  0.206100D+02  0.189045D+02  0.122707D+02
      3  -0.661715D+01  0.209965D+02  0.193150D+02  0.145369D+02  0.211934D+02
      4   0.120343D+02 -0.105008D+02 -0.435581D+02 -0.581623D+01 -0.115924D+02
      5  -0.103771D+02  0.355061D+02 -0.397045D+02 -0.764241D+01  0.190682D+01
      6   0.724618D+01 -0.634562D+01 -0.197202D+02  0.254093D+01  0.927781D+01
               256           257           258           259           260 
      1  -0.188383D+02 -0.123569D+01 -0.115515D+01 -0.317662D+02  0.620047D-01
      2   0.188275D+02  0.108348D+02  0.140156D+02  0.125012D+02  0.128305D+02
      3   0.107335D-01 -0.959909D+01 -0.128604D+02  0.192650D+02 -0.128925D+02
      4   0.114782D+02  0.220800D+02  0.136574D+02 -0.795912D+01  0.101307D+02
      5  -0.385303D+00  0.143664D+02 -0.110434D+02  0.523377D+01 -0.162829D+02
      6   0.869629D+01  0.118556D+02 -0.688194D+01  0.788966D+01 -0.135507D+02
               261           262           263           264           265 
      1   0.228305D+02  0.338233D+02 -0.194706D+02 -0.146199D+02 -0.112685D+02
      2  -0.202749D+02 -0.139375D+02  0.612370D+01  0.656127D+01  0.133761D+01
      3  -0.255555D+01 -0.198858D+02  0.133469D+02  0.805859D+01  0.993094D+01
      4  -0.993870D+01 -0.325356D+02  0.273688D+02  0.145805D+02  0.214156D+02
      5   0.650223D+01 -0.201867D+02  0.131107D+02  0.166473D+02  0.924135D+01
      6  -0.384358D+01  0.846399D+01 -0.628759D+01 -0.586223D+01 -0.489231D+01
               266           267           268           269           270 
      1   0.743271D+01  0.365279D+01 -0.260672D+02  0.145902D+02  0.140862D+02
      2   0.335664D+01  0.338081D+00  0.123721D+02 -0.404542D+01 -0.827739D+01
      3  -0.107893D+02 -0.399087D+01  0.136951D+02 -0.105448D+02 -0.580885D+01
      4  -0.283275D+02 -0.113109D+02  0.318075D+02 -0.328249D+02 -0.247140D+02
      5  -0.101799D+02 -0.103793D+02  0.287446D+02 -0.226851D+02 -0.281388D+02
      6   0.722984D+01  0.588462D+01 -0.119554D+02  0.124969D+02  0.129286D+02
               271           272           273           274           275 
      1  -0.124292D+02  0.179964D+02  0.202708D+02  0.810036D+01 -0.150466D+02
      2   0.499587D+01 -0.129255D+02 -0.667578D+01 -0.582681D+01  0.119624D+02
      3   0.743332D+01 -0.507090D+01 -0.135950D+02 -0.227355D+01  0.308414D+01
      4  -0.115796D+01 -0.415341D+01  0.500419D+00  0.207723D+01  0.334195D+01
      5   0.301555D+01 -0.306036D+01 -0.552693D+01  0.370548D+00  0.315560D+01
      6   0.812294D+01 -0.109886D+02 -0.133552D+02 -0.455214D+01  0.111500D+02
               276           277           278           279           280 
      1  -0.109941D+02  0.167121D+02 -0.171319D+02 -0.275314D+02  0.168763D+01
      2   0.631294D+01 -0.622309D+01  0.919190D+01  0.584297D+01  0.944414D+00
      3   0.468119D+01 -0.104890D+02  0.793999D+01  0.216884D+02 -0.263204D+01
      4   0.258319D+01  0.596255D+01  0.796956D+01  0.644074D+01  0.466988D+01
      5   0.593982D+01  0.181303D+01  0.109620D+02  0.157184D+02  0.204171D+00
      6   0.125234D+02 -0.553383D+01  0.180185D+02  0.224661D+02 -0.825279D+00
               281           282           283           284           285 
      1   0.841593D+01 -0.412606D+00  0.653471D+01 -0.114876D+02  0.450774D+01
      2  -0.719317D+01  0.139938D+01 -0.316665D+01  0.217032D+02 -0.118368D+02
      3  -0.122277D+01 -0.986776D+00 -0.336806D+01 -0.102156D+02  0.732909D+01
      4   0.102317D+01 -0.351967D-01  0.598517D+01  0.152442D+02 -0.787882D+01
      5   0.162863D+01 -0.944159D+00  0.790629D+00 -0.970383D+01  0.106636D+02
      6  -0.215756D-01 -0.280000D+01 -0.294633D+00 -0.660214D+01  0.958063D+01
               286           287           288           289           290 
      1  -0.651437D+01  0.959890D+01 -0.836957D+01  0.764128D+02  0.186057D+02
      2   0.227279D+01 -0.202713D+02  0.121256D+02 -0.349175D+02 -0.178948D+01
      3   0.424159D+01  0.106724D+02 -0.375600D+01 -0.414953D+02 -0.168163D+02
      4  -0.728517D+01 -0.196895D+02  0.669911D+01  0.568204D+02  0.326006D+02
      5  -0.115953D+01  0.920390D+01 -0.177675D+02  0.424142D+02  0.153024D+02
      6  -0.204159D+01  0.772724D+01 -0.128294D+02  0.167604D+02  0.103713D+02
               291           292           293           294           295 
      1   0.170591D+02  0.931503D+01  0.750958D+01  0.157768D+01  0.154951D+02
      2  -0.106682D+02  0.689433D+00  0.873266D+00 -0.516588D+00 -0.102093D+02
      3  -0.639091D+01 -0.100045D+02 -0.838285D+01 -0.106109D+01 -0.528581D+01
      4   0.165483D+02  0.211318D+02  0.141434D+02  0.505488D+01  0.143391D+02
      5   0.226308D+02  0.711778D+01  0.600304D+01  0.515687D+01  0.214925D+02
      6   0.981551D+01  0.603448D+01  0.429679D+01  0.529493D+01  0.807846D+01
               296           297 
      1   0.243352D+01  0.616380D+01
      2  -0.154103D+01 -0.481444D+01
      3  -0.892491D+00 -0.134936D+01
      4   0.786969D+01  0.105200D+02
      5   0.971095D+01  0.140966D+02
      6   0.736010D+01  0.693667D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.175221D+03      0.259650D+02      0.288900D+02
   aniso      0.842427D+02      0.124835D+02      0.138898D+02
   xx         0.229019D+03      0.339372D+02      0.377602D+02
   yx         0.963054D+01      0.142710D+01      0.158786D+01
   yy         0.147159D+03      0.218067D+02      0.242632D+02
   zx         0.338514D+01      0.501626D+00      0.558134D+00
   zy        -0.945034D+01     -0.140040D+01     -0.155815D+01
   zz         0.149483D+03      0.221512D+02      0.246465D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.175221D+03      0.259650D+02      0.288900D+02
   aniso      0.842427D+02      0.124835D+02      0.138898D+02
   xx         0.200846D+03      0.297622D+02      0.331150D+02
   yx        -0.692939D+01     -0.102683D+01     -0.114250D+01
   yy         0.138902D+03      0.205831D+02      0.229018D+02
   zx        -0.356619D+02     -0.528455D+01     -0.587986D+01
   zy         0.889936D+00      0.131875D+00      0.146731D+00
   zz         0.185914D+03      0.275497D+02      0.306531D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 17\\\@


 GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE
 GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT.
     -- PROF. LEN SHAPIRO, NDSU
 Job cpu time:       0 days 18 hours 21 minutes 49.8 seconds.
 Elapsed time:       0 days  2 hours 18 minutes 11.2 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 21:07:12 2021.
